inchi stringlengths 12 2.63k | inchi_key stringlengths 27 27 | isometric_smiles stringlengths 2 3.5k ⌀ | mol_formula stringlengths 1 26 | canonical_smiles stringlengths 1 1.1k ⌀ | iupac_name stringlengths 5 1.3k ⌀ | jchem_name stringlengths 5 2.25k ⌀ | classyfire_classification stringlengths 185 2.81k ⌀ | patent_count stringlengths 8 804 ⌀ | compound_name stringclasses 485
values |
|---|---|---|---|---|---|---|---|---|---|
InChI=1S/C21H14F5IN4O2S2/c1-30-20(32)31(29-28-30)16-5-3-4-15(27)11(16)9-33-17-7-13(22)10(6-12(17)21(24,25)26)19-14(23)8-18(34-2)35-19/h3-8H,9H2,1-2H3 | BCFMZUPBODQSCQ-UHFFFAOYSA-N | CSC1=CC(F)=C(S1)C1=CC(=C(OCC2=C(C=CC=C2I)N2N=NN(C)C2=O)C=C1F)C(F)(F)F | C21H14F5IN4O2S2 | null | null | 1-[2-({5-fluoro-4-[3-fluoro-5-(methylsulfanyl)thiophen-2-yl]-2-(trifluoromethyl)phenoxy}methyl)-3-iodophenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C12H25NOP.C3H5.Ni/c1-8-13-10(14)9-15(11(2,3)4)12(5,6)7;1-3-2;/h8-9H2,1-7H3;3H,1-2H2;/q2*-1;+2 | BCFQQRTUNYIZQW-UHFFFAOYSA-N | CC[N-]1C(=O)C[P](C(C)(C)C)(C(C)(C)C)[Ni++]112[CH2-][CH]1=[CH2]2 | C15H30NNiOP | null | null | null | null | null | null |
InChI=1S/C23H22FN5O3/c1-4-15-8-11-19(24)22(29-23(30)28(3)26-27-29)18(15)14-32-21-13-12-20(25-21)16-6-9-17(10-7-16)31-5-2/h4,6-13,25H,1,5,14H2,2-3H3 | BCFWTIPZASIBBE-UHFFFAOYSA-N | CCOC1=CC=C(C=C1)C1=CC=C(N1)OCC1=C(N2N=NN(C)C2=O)C(F)=CC=C1C=C | C23H22FN5O3 | null | null | 1-[3-ethenyl-2-({[5-(4-ethoxyphenyl)-1H-pyrrol-2-yl]oxy}methyl)-6-fluorophenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C19H14ClFN8O3/c1-27-19(30)29(26-25-27)18-12(13(20)3-4-14(18)21)10-32-16-5-6-28(24-16)15-7-11(9-22)8-17(23-15)31-2/h3-8H,10H2,1-2H3 | BCFXOXLXGHQFEN-UHFFFAOYSA-N | COC1=NC(=CC(=C1)C#N)N1C=CC(OCC2=C(N3N=NN(C)C3=O)C(F)=CC=C2Cl)=N1 | C19H14ClFN8O3 | null | null | 2-(3-{[6-chloro-3-fluoro-2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)phenyl]methoxy}-1H-pyrazol-1-yl)-6-methoxypyridine-4-carbonitrile | null | null | null |
InChI=1S/C62H42N3OP/c66-67(51-27-9-3-10-28-51,52-29-11-4-12-30-52)53-37-35-45(36-38-53)59-54-31-13-15-33-56(54)60(57-34-16-14-32-55(57)59)48-25-17-23-46(39-48)47-24-18-26-49(40-47)61-63-62-58(44-21-7-2-8-22-44)41-50(42-65(62)64-61)43-19-5-1-6-20-43/h1-42H | BCFZJSOWDIHGRQ-UHFFFAOYSA-N | C1=CC=C(C=C1)C2=CC(=CN3C2=NC(=N3)C4=CC=CC(=C4)C5=CC(=CC=C5)C6=C7C=CC=CC7=C(C8=CC=CC=C86)C9=CC=C(C=C9)P(=O)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 | C62H42N3OP | C1=CC=C(C=C1)C2=CC(=CN3C2=NC(=N3)C4=CC=CC(=C4)C5=CC(=CC=C5)C6=C7C=CC=CC7=C(C8=CC=CC=C86)C9=CC=C(C=C9)P(=O)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1 | 2-[3-[3-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine | 2-(3'-{10-[4-(diphenylphosphoroso)phenyl]anthracen-9-yl}-[1,1'-biphenyl]-3-yl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine | null | null | null |
InChI=1S/C12H19N3O2/c1-2-10-7-11(15-17-10)8-3-5-9(6-4-8)12(16)14-13/h7-9H,2-6,13H2,1H3,(H,14,16) | BCGAHIZBETYNIJ-UHFFFAOYSA-N | CCC1=CC(=NO1)C1CCC(CC1)C(=O)NN | C12H19N3O2 | CCC1=CC(=NO1)C2CCC(CC2)C(=O)NN | 4-(5-ethyl-1,2-oxazol-3-yl)cyclohexane-1-carbohydrazide | 4-(5-ethyl-1,2-oxazol-3-yl)cyclohexane-1-carbohydrazide | {"intermediateNodes":[],"alternativeParents":["CHEMONTID:0004144","CHEMONTID:0001165","CHEMONTID:0004140","CHEMONTID:0004139","CHEMONTID:0000278","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"substituents":["Heteroaromatic compound","Isoxazole","Carboxylic acid hydrazide","Oxacycle","Azacycle","Carboxyl... | {"wo":1,"ep":2,"us":2} | null |
InChI=1S/C26H22F2N2O4S/c1-16-10-11-18(31)12-22(16)34-26(33)20-13-29-24(19-8-5-9-21(27)23(19)28)30(25(20)32)15-35-14-17-6-3-2-4-7-17/h2-9,12-13,16H,10-11,14-15H2,1H3 | BCGCBXTYSSTODS-UHFFFAOYSA-N | CC1CCC(=O)C=C1OC(=O)C1=CN=C(N(CSCC2=CC=CC=C2)C1=O)C1=C(F)C(F)=CC=C1 | C26H22F2N2O4S | null | null | 6-methyl-3-oxocyclohex-1-en-1-yl 1-[(benzylsulfanyl)methyl]-2-(2,3-difluorophenyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylate | null | null | null |
InChI=1S/C63H47N/c1-42-36-53(43-20-8-4-9-21-43)61(54(37-42)44-22-10-5-11-23-44)64(49-33-35-57-56(40-49)55-38-45-24-16-17-25-46(45)39-59(55)62(57,2)3)50-32-34-52-51-30-18-19-31-58(51)63(60(52)41-50,47-26-12-6-13-27-47)48-28-14-7-15-29-48/h4-41H,1-3H3 | BCGCSHNMJYYKDQ-UHFFFAOYSA-N | CC1=CC(C2=CC=CC=C2)=C(N(C2=CC=C3C(=C2)C2=CC4=CC=CC=C4C=C2C3(C)C)C2=CC=C3C4=CC=CC=C4C(C3=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(=C1)C1=CC=CC=C1 | C63H47N | CC1=CC(C2=CC=CC=C2)=C(N(C2=CC=C3C(=C2)C2=CC4=CC=CC=C4C=C2C3(C)C)C2=CC=C3C4=CC=CC=C4C(C3=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(=C1)C1=CC=CC=C1 | null | N-{11,11-dimethyl-11H-benzo[b]fluoren-3-yl}-N-{5-methyl-3-phenyl-[1,1'-biphenyl]-2-yl}-9,9-diphenyl-9H-fluoren-2-amine | null | null | null |
InChI=1S/C23H26Cl2N2O3S/c1-11(2)22(29)30-20-12(3)26-27(6)21(28)18(20)17-14-8-13(24)9-15(25)19(14)23(4,5)10-16(17)31-7/h8-9,11H,10H2,1-7H3 | BCGFAUWTHJGJOI-UHFFFAOYSA-N | CSC1=C(C2=CC(Cl)=CC(Cl)=C2C(C)(C)C1)C1=C(OC(=O)C(C)C)C(C)=NN(C)C1=O | C23H26Cl2N2O3S | null | null | 5-[5,7-dichloro-4,4-dimethyl-2-(methylsulfanyl)-3,4-dihydronaphthalen-1-yl]-1,3-dimethyl-6-oxo-1,6-dihydropyridazin-4-yl 2-methylpropanoate | null | null | null |
InChI=1S/C46H84N18O16/c1-6-22(4)33(63-39(75)27(12-9-17-56-46(52)53)57-35(71)24(47)18-21(2)3)41(77)59-26(11-8-16-55-45(50)51)37(73)61-29(19-32(69)70)40(76)64-34(23(5)66)42(78)60-25(10-7-15-54-44(48)49)36(72)58-28(13-14-31(67)68)38(74)62-30(20-65)43(79)80/h21-30,33-34,65-66H,6-20,47H2,1-5H3,(H,57,71)(H,58,72)(H,59,77)(H,... | BCGIOGILUVEJAC-FQESRJRZSA-N | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O | C46H84N18O16 | null | null | (4S)-4-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-5-carbamimidamidopentanamido]-3-carboxypropanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid | null | null | null |
InChI=1S/C19H13F4N7OS/c1-9-7-13(27-28-16(9)30-8-24-18(20)29-30)11-5-3-4-6-12(11)26-17(31)14-15(19(21,22)23)25-10(2)32-14/h3-8H,1-2H3,(H,26,31) | BCGNFZLIIXDRNV-UHFFFAOYSA-N | CC1=NC(=C(S1)C(=O)NC1=C(C=CC=C1)C1=CC(C)=C(N=N1)N1C=NC(F)=N1)C(F)(F)F | C19H13F4N7OS | null | null | N-{2-[6-(3-fluoro-1H-1,2,4-triazol-1-yl)-5-methylpyridazin-3-yl]phenyl}-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide | null | null | null |
InChI=1S/C49H80N10O15S/c1-12-25(6)37(57-42(66)31(50)22-30-16-14-13-15-17-30)46(70)53-32(18-19-34(62)63)43(67)59-38(28(9)60)47(71)52-26(7)40(64)55-36(24(4)5)45(69)56-35(23(2)3)44(68)51-27(8)41(65)58-39(29(10)61)48(72)54-33(49(73)74)20-21-75-11/h13-17,23-29,31-33,35-39,60-61H,12,18-22,50H2,1-11H3,(H,51,68)(H,52,71)(H,53,... | BCGNYGVFYHJRMW-NFZWRUPGSA-N | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(O)=O | C49H80N10O15S | null | null | (4S)-4-[(2S,3S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylpentanamido]-4-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carb... | null | null | null |
InChI=1S/C114H147N42O69P11/c1-48-27-151(113(168)143-103(48)159)87-16-51(62(29-157)203-87)215-227(172,173)193-31-64-53(18-82(205-64)146-10-4-75(116)136-108(146)163)220-231(180,181)200-38-71-59(24-89(212-71)154-45-132-93-97(122)126-42-129-100(93)154)223-234(186,187)198-36-69-56(21-85(210-69)149-13-7-78(119)139-111(149)16... | BCGOOARIULITKT-ZDXLUPTESA-N | [H][C@@]1(C[C@H](O)[C@@H](CO[P](O)(=O)O[C@H]2C[C@@]([H])(O[C@@H]2CO[P](O)(=O)O[C@H]2C[C@@]([H])(O[C@@H]2CO[P](O)(=O)O[C@H]2C[C@@]([H])(O[C@@H]2CO[P](O)(=O)O[C@H]2C[C@@]([H])(O[C@@H]2CO[P](O)(=O)O[C@H]2C[C@@]([H])(O[C@@H]2CO[P](O)(=O)O[C@H]2C[C@@]([H])(O[C@@H]2CO[P](O)(=O)O[C@H]2C[C@@]([H])(O[C@@H]2CO[P](O)(=O)O[C@H]2C[... | C114H147N42O69P11 | null | null | {[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-{[({[(2R,3S,5R)-2-{[({[(2R,3S,5R)-2-{[({[(2R,3S,5R)-2-{[({[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-{[({[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-{[({[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-{[({[(2R,3S,5R)-5-(4-... | null | null | null |
InChI=1S/C60H40N2S/c1-3-15-42(16-4-1)49-19-7-8-20-50(49)44-29-34-47(35-30-44)61(48-36-38-55-54-23-11-14-26-59(54)63-60(55)40-48)46-32-27-41(28-33-46)45-31-37-51(43-17-5-2-6-18-43)58(39-45)62-56-24-12-9-21-52(56)53-22-10-13-25-57(53)62/h1-40H | BCGPSWCVRXZYQD-UHFFFAOYSA-N | S1C2=CC=CC=C2C2=CC=C(C=C12)N(C1=CC=C(C=C1)C1=CC(N2C3=CC=CC=C3C3=CC=CC=C23)=C(C=C1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=C(C=CC=C1)C1=CC=CC=C1 | C60H40N2S | null | null | N-(4-{[1,1'-biphenyl]-2-yl}phenyl)-N-{4-[2-(9H-carbazol-9-yl)-[1,1'-biphenyl]-4-yl]phenyl}-8-thiatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-5-amine | null | null | null |
InChI=1S/C28H24O3/c29-26-15-13-22(14-16-26)11-12-25-17-27(30-20-23-7-3-1-4-8-23)19-28(18-25)31-21-24-9-5-2-6-10-24/h1-19,29H,20-21H2/b12-11+ | BCGQMLCVUSXZEP-VAWYXSNFSA-N | C1=CC=C(C=C1)COC2=CC(=CC(=C2)/C=C/C3=CC=C(C=C3)O)OCC4=CC=CC=C4 | C28H24O3 | C1=CC=C(C=C1)COC2=CC(=CC(=C2)C=CC3=CC=C(C=C3)O)OCC4=CC=CC=C4 | 4-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]phenol | 4-[(E)-2-[3,5-bis(benzyloxy)phenyl]ethenyl]phenol | {"alternativeParents":["CHEMONTID:0000037","CHEMONTID:0004742","CHEMONTID:0002341","CHEMONTID:0000128","CHEMONTID:0004646","CHEMONTID:0004150"],"directParent":"CHEMONTID:0000253","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aromatic homomonocyclic compounds","substituents":["Stilbene","Phe... | null | null |
InChI=1S/C31H28N2O5/c1-17-15-23(18(2)32-25-9-5-3-7-20(25)31(36)37)29-24(16-17)27(34)22-13-14-33(30(35)19-11-12-19)26-10-6-4-8-21(26)28(22)38-29/h3-10,15-16,18-19,32H,11-14H2,1-2H3,(H,36,37)/t18-/m1/s1 | BCGQRTWRLVPRLB-GOSISDBHSA-N | C[C@@H](NC1=C(C=CC=C1)C(O)=O)C1=C2OC3=C(CCN(C(=O)C4CC4)C4=CC=CC=C34)C(=O)C2=CC(C)=C1 | C31H28N2O5 | CC(NC1=C(C=CC=C1)C(O)=O)C1=C2OC3=C(CCN(C(=O)C4CC4)C4=CC=CC=C34)C(=O)C2=CC(C)=C1 | null | 2-{[(1R)-1-{8-cyclopropanecarbonyl-15-methyl-12-oxo-19-oxa-8-azatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-1(11),2,4,6,13,15,17-heptaen-17-yl}ethyl]amino}benzoic acid | null | null | null |
InChI=1S/C17H13BrN2O2/c18-13-6-3-11(4-7-13)10-20-17(22)14-8-5-12-2-1-9-19-15(12)16(14)21/h1-9,21H,10H2,(H,20,22) | BCGXVVHVHQYKGD-UHFFFAOYSA-N | C1=CC2=C(C(=C(C=C2)C(=O)NCC3=CC=C(C=C3)Br)O)N=C1 | C17H13BrN2O2 | C1=CC2=C(C(=C(C=C2)C(=O)NCC3=CC=C(C=C3)Br)O)N=C1 | N-[(4-bromophenyl)methyl]-8-hydroxyquinoline-7-carboxamide | N-[(4-bromophenyl)methyl]-8-hydroxyquinoline-7-carboxamide | {"intermediateNodes":[],"alternativeParents":["CHEMONTID:0003953","CHEMONTID:0000057","CHEMONTID:0000487","CHEMONTID:0004647","CHEMONTID:0001098","CHEMONTID:0000089","CHEMONTID:0001029","CHEMONTID:0003889","CHEMONTID:0004144","CHEMONTID:0001663","CHEMONTID:0004139","CHEMONTID:0004150","CHEMONTID:0003940","CHEMONTID:000... | {"jp":4,"wo":1,"ep":4,"ca":2,"us":4} | null |
InChI=1S/C17H17BrCl2F3N3O3/c1-4-28-15(27)16(2,20)7-11-9(19)5-6-10(24-11)13-12(18)14(26(3)25-13)29-8-17(21,22)23/h5-6H,4,7-8H2,1-3H3 | BCHBDELKYACKQE-UHFFFAOYSA-N | CCOC(=O)C(C)(Cl)CC1=NC(=CC=C1Cl)C1=NN(C)C(OCC(F)(F)F)=C1Br | C17H17BrCl2F3N3O3 | null | null | ethyl 3-{6-[4-bromo-1-methyl-5-(2,2,2-trifluoroethoxy)-1H-pyrazol-3-yl]-3-chloropyridin-2-yl}-2-chloro-2-methylpropanoate | null | null | null |
InChI=1S/C19H23ClN4O4/c1-18(2,3)28-17(27)23-13(25)9-19(15(23)26)8-11-10-21-16(20)22-14(11)24(19)12-6-4-5-7-12/h10,12H,4-9H2,1-3H3 | BCHFJRJRYQYQMI-UHFFFAOYSA-N | CC(C)(C)OC(=O)N1C(=O)CC2(C1=O)CC3=CN=C(N=C3N2C4CCCC4)Cl | C19H23ClN4O4 | CC(C)(C)OC(=O)N1C(=O)CC2(C1=O)CC3=CN=C(N=C3N2C4CCCC4)Cl | tert-butyl 2-chloro-7-cyclopentyl-2',5'-dioxospiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-1'-carboxylate | tert-butyl 2'-chloro-7'-cyclopentyl-2,5-dioxo-5',7'-dihydrospiro[pyrrolidine-3,6'-pyrrolo[2,3-d]pyrimidine]-1-carboxylate | null | null | null |
InChI=1S/C21H20F2N6O3S/c1-3-9-31-18-10-13(7-8-24-18)16-12-33-20(25-16)32-11-15-14(19(22)23)5-4-6-17(15)29-21(30)28(2)26-27-29/h4-8,10,12,19H,3,9,11H2,1-2H3 | BCHMPLARTRPMEV-UHFFFAOYSA-N | CCCOC1=CC(=CC=N1)C1=CSC(OCC2=C(C=CC=C2C(F)F)N2N=NN(C)C2=O)=N1 | C21H20F2N6O3S | null | null | 1-[3-(difluoromethyl)-2-({[4-(2-propoxypyridin-4-yl)-1,3-thiazol-2-yl]oxy}methyl)phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C20H19NO3/c22-14-13-19-17(15-7-3-1-4-8-15)11-12-18(20(19)21(23)24)16-9-5-2-6-10-16/h1-11,14,18-20H,12-13H2/t18-,19-,20-/m0/s1 | BCHPSCJIQPUEBB-UFYCRDLUSA-N | O=CC[C@@H]1[C@H]([C@@H](CC=C1C1=CC=CC=C1)C1=CC=CC=C1)[N](=O)=O | C20H19NO3 | null | null | 2-[(1S,5S,6S)-6-nitro-2,5-diphenylcyclohex-2-en-1-yl]acetaldehyde | null | null | null |
InChI=1S/C22H16Br2ClF3N6O/c1-10-29-11(2)34(31-10)12-8-14(23)17(15(24)9-12)13-6-4-5-7-16(13)30-21(35)18-19(22(26,27)28)32-33(3)20(18)25/h4-9H,1-3H3,(H,30,35) | BCHPZRNZQZKMDQ-UHFFFAOYSA-N | CN1N=C(C(C(=O)NC2=C(C=CC=C2)C2=C(Br)C=C(C=C2Br)N2N=C(C)N=C2C)=C1Cl)C(F)(F)F | C22H16Br2ClF3N6O | null | null | 5-chloro-N-[2',6'-dibromo-4'-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-[1,1'-biphenyl]-2-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide | null | null | null |
InChI=1S/C28H31Cl2F3N6O8/c1-9-38(8)21(41)22(45-23(42)27(6,7)36-25(44)47-26(3,4)5)46-24(43)35-20-18(13(2)40)17(12-34)37-39(20)19-15(29)10-14(11-16(19)30)28(31,32)33/h10-11,22H,9H2,1-8H3,(H,35,43)(H,36,44) | BCHSDPFPCRNEOO-UHFFFAOYSA-N | CCN(C)C(=O)C(OC(=O)NC1=C(C(C)=O)C(=NN1C1=C(Cl)C=C(C=C1Cl)C(F)(F)F)C#N)OC(=O)C(C)(C)NC(=O)OC(C)(C)C | C28H31Cl2F3N6O8 | null | null | [({4-acetyl-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}carbamoyl)oxy][ethyl(methyl)carbamoyl]methyl 2-{[(tert-butoxy)carbonyl]amino}-2-methylpropanoate | null | null | null |
InChI=1S/C18H15ClO/c19-11-12-20-18-10-9-15(13-14-5-1-2-6-14)16-7-3-4-8-17(16)18/h1-10,13H,11-12H2 | BCHSPGAAIXLCPY-UHFFFAOYSA-N | C1=CC=C2C(=C1)C(=CC=C2OCCCl)C=C3C=CC=C3 | C18H15ClO | C1=CC=C2C(=C1)C(=CC=C2OCCCl)C=C3C=CC=C3 | 1-(2-chloroethoxy)-4-(cyclopenta-2,4-dien-1-ylidenemethyl)naphthalene | 1-(2-chloroethoxy)-4-[(cyclopenta-2,4-dien-1-ylidene)methyl]naphthalene | null | null | null |
InChI=1S/C21H21Cl2NO2S/c1-26-16-7-3-4-8-17(16)27-18-11-9-15(20(22)21(18)23)10-12-19(25)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-14H2,1H3/b12-10+ | BCIALKJJYBZROB-ZRDIBKRKSA-N | COC1=CC=CC=C1SC2=C(C(=C(C=C2)/C=C/C(=O)N3CCCCC3)Cl)Cl | C21H21Cl2NO2S | COC1=CC=CC=C1SC2=C(C(=C(C=C2)C=CC(=O)N3CCCCC3)Cl)Cl | (E)-3-[2,3-dichloro-4-(2-methoxyphenyl)sulfanylphenyl]-1-piperidin-1-ylprop-2-en-1-one | (2E)-3-{2,3-dichloro-4-[(2-methoxyphenyl)sulfanyl]phenyl}-1-(piperidin-1-yl)prop-2-en-1-one | {"intermediateNodes":[],"alternativeParents":["CHEMONTID:0003864","CHEMONTID:0000335","CHEMONTID:0000138","CHEMONTID:0002359","CHEMONTID:0002564","CHEMONTID:0004113","CHEMONTID:0004742","CHEMONTID:0000037","CHEMONTID:0000128","CHEMONTID:0001030","CHEMONTID:0001664","CHEMONTID:0004139","CHEMONTID:0003260","CHEMONTID:000... | null | null |
InChI=1S/C7H4Br2N2O6/c1-7(17-11(15)16)2-3(10(13)14)5(12)4(8)6(7)9/h2H,1H3 | BCIBLIPGAXTTCH-UHFFFAOYSA-N | CC1(O[N](=O)=O)C=C(C(=O)C(Br)=C1Br)[N](=O)=O | C7H4Br2N2O6 | CC1(C=C(C(=O)C(=C1Br)Br)[N+](=O)[O-])O[N+](=O)[O-] | (2,3-dibromo-1-methyl-5-nitro-4-oxocyclohexa-2,5-dien-1-yl) nitrate | 2,3-dibromo-1-methyl-5-nitro-4-oxocyclohexa-2,5-dien-1-yl nitrate | {"alternativeParents":["CHEMONTID:0003888","CHEMONTID:0004091","CHEMONTID:0000488","CHEMONTID:0003487","CHEMONTID:0004117","CHEMONTID:0002864","CHEMONTID:0003633","CHEMONTID:0001508","CHEMONTID:0003904","CHEMONTID:0000278","CHEMONTID:0001515","CHEMONTID:0003865","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:000360... | null | null |
InChI=1S/C24H15Cl3F9N5O6S/c1-3-40(2)18(42)20(46-19(43)13-10(25)5-4-6-11(13)26)47-21(44)38-17-14(48(45)24(34,35)36)15(23(31,32)33)39-41(17)16-12(27)7-9(8-37-16)22(28,29)30/h4-8,20H,3H2,1-2H3,(H,38,44) | BCIFKQVXSGEVBT-UHFFFAOYSA-N | CCN(C)C(=O)C(OC(=O)NC1=C(C(=NN1C1=C(Cl)C=C(C=N1)C(F)(F)F)C(F)(F)F)[S](=O)C(F)(F)F)OC(=O)C1=C(Cl)C=CC=C1Cl | C24H15Cl3F9N5O6S | null | null | [({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-trifluoromethanesulfinyl-3-(trifluoromethyl)-1H-pyrazol-5-yl}carbamoyl)oxy][ethyl(methyl)carbamoyl]methyl 2,6-dichlorobenzoate | null | null | null |
InChI=1S/C19H12BrClF2N4/c20-13-6-10(8-24)7-14(21)18(13)26-19-12(9-25-27(19)11-4-5-11)17-15(22)2-1-3-16(17)23/h1-3,6-7,9,11,26H,4-5H2 | BCIITMKLJPHPQI-UHFFFAOYSA-N | FC1=CC=CC(F)=C1C1=C(NC2=C(Br)C=C(C=C2Cl)C#N)N(N=C1)C1CC1 | C19H12BrClF2N4 | null | null | 3-bromo-5-chloro-4-{[1-cyclopropyl-4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]amino}benzonitrile | null | null | null |
InChI=1S/C19H10ClF6N5O3/c1-30-18(32)31(29-28-30)13-4-2-3-11(21)9(13)7-33-14-6-12(22)8(5-10(14)19(24,25)26)17-27-15(20)16(23)34-17/h2-6H,7H2,1H3 | BCIUWPIOFMQOJD-UHFFFAOYSA-N | CN1N=NN(C1=O)C1=C(COC2=C(C=C(C3=NC(Cl)=C(F)O3)C(F)=C2)C(F)(F)F)C(F)=CC=C1 | C19H10ClF6N5O3 | null | null | 1-(2-{[4-(4-chloro-5-fluoro-1,3-oxazol-2-yl)-5-fluoro-2-(trifluoromethyl)phenoxy]methyl}-3-fluorophenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C25H22FNO4/c1-25-11-10-21(31-25)23(29)22(24(25)30)20(28)13-18(16-8-5-9-17(26)12-16)19(14-27)15-6-3-2-4-7-15/h2-9,12,18-19,21,30H,10-11,13H2,1H3 | BCIXKTCRZRAHOZ-UHFFFAOYSA-N | CC12CCC(O1)C(=O)C(C(=O)CC(C(C#N)C1=CC=CC=C1)C1=CC(F)=CC=C1)=C2O | C25H22FNO4 | null | null | 3-(3-fluorophenyl)-5-{2-hydroxy-1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-2-en-3-yl}-5-oxo-2-phenylpentanenitrile | null | null | null |
InChI=1S/C32H52N10O16/c1-12(36-21(47)10-35-30(55)23(14(3)44)41-29(54)18(9-22(48)49)39-27(52)16-6-5-7-34-16)25(50)38-17(8-20(33)46)28(53)42-24(15(4)45)31(56)37-13(2)26(51)40-19(11-43)32(57)58/h12-19,23-24,34,43-45H,5-11H2,1-4H3,(H2,33,46)(H,35,55)(H,36,47)(H,37,56)(H,38,50)(H,39,52)(H,40,51)(H,41,54)(H,42,53)(H,48,49)(H... | BCJBSSBFLQVPGZ-PNKZPIHISA-N | C[C@@H](O)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O | C32H52N10O16 | null | null | (3S)-3-{[(1S,2R)-1-[({[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]-2-hydroxypropyl]carbamoyl}-3-{[(2S)-pyrrolidin-2-yl]formamido}propanoic acid | null | null | null |
InChI=1S/C21H22N10O4S/c1-24-11-18(32)30(2)14-9-26-21(27-10-14)28-20(33)16-8-17(36(23,34)35)29-31(16)13-4-3-12-5-6-25-19(22)15(12)7-13/h3-10,24H,11H2,1-2H3,(H2,22,25)(H2,23,34,35)(H,26,27,28,33) | BCJCTLVQZBFXOG-UHFFFAOYSA-N | CNCC(=O)N(C)C1=CN=C(NC(=O)C2=CC(=NN2C2=CC3=C(C=CN=C3N)C=C2)[S](N)(=O)=O)N=C1 | C21H22N10O4S | CNCC(=O)N(C)C1=CN=C(NC(=O)C2=CC(=NN2C2=CC3=C(C=CN=C3N)C=C2)S(N)(=O)=O)N=C1 | null | 1-(1-aminoisoquinolin-7-yl)-N-{5-[N-methyl-2-(methylamino)acetamido]pyrimidin-2-yl}-3-sulfamoyl-1H-pyrazole-5-carboxamide | null | null | null |
InChI=1S/C22H18F3N7O2S/c1-4-6-14-7-5-8-18(32-21(33)30(2)28-29-32)16(14)12-34-19-10-9-15(11-17(19)22(23,24)25)31-20(35-3)26-13-27-31/h5,7-11,13H,12H2,1-3H3 | BCJFBQMSLDOMKK-UHFFFAOYSA-N | CSC1=NC=NN1C1=CC(=C(OCC2=C(C=CC=C2C#CC)N2N=NN(C)C2=O)C=C1)C(F)(F)F | C22H18F3N7O2S | null | null | 1-methyl-4-[2-({4-[5-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-2-(trifluoromethyl)phenoxy}methyl)-3-(prop-1-yn-1-yl)phenyl]-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C15H17NO5/c1-8-4-3-5-9(14(17)16-2)11(8)21-15(18)10-12-13(10)20-7-6-19-12/h3-5,10,12-13H,6-7H2,1-2H3,(H,16,17)/t10-,12+,13- | BCJHBDPKFGUFQB-LMKPVCQUSA-N | [H][C@@]12OCCO[C@]1([H])[C@@H]2C(=O)OC1=C(C=CC=C1C)C(=O)NC | C15H17NO5 | [H]C12OCCOC1([H])C2C(=O)OC1=C(C=CC=C1C)C(=O)NC | null | 2-methyl-6-(methylcarbamoyl)phenyl (1R,6S,7R)-2,5-dioxabicyclo[4.1.0]heptane-7-carboxylate | null | null | null |
InChI=1S/C24H25ClN4O4/c1-3-27-21-20(22(31)28(24(27)32)13-6-14-30)29(15-17-9-11-18(25)12-10-17)23(26-21)33-19-8-5-4-7-16(19)2/h4-5,7-12,30H,3,6,13-15H2,1-2H3 | BCJIWTDQZLJKCP-UHFFFAOYSA-N | CCN1C2=C(C(=O)N(C1=O)CCCO)N(C(=N2)OC3=CC=CC=C3C)CC4=CC=C(C=C4)Cl | C24H25ClN4O4 | CCN1C2=C(C(=O)N(C1=O)CCCO)N(C(=N2)OC3=CC=CC=C3C)CC4=CC=C(C=C4)Cl | 7-[(4-chlorophenyl)methyl]-3-ethyl-1-(3-hydroxypropyl)-8-(2-methylphenoxy)purine-2,6-dione | 7-[(4-chlorophenyl)methyl]-3-ethyl-1-(3-hydroxypropyl)-8-(2-methylphenoxy)-2,3,6,7-tetrahydro-1H-purine-2,6-dione | {"intermediateNodes":[],"alternativeParents":["CHEMONTID:0002463","CHEMONTID:0001505","CHEMONTID:0000279","CHEMONTID:0004742","CHEMONTID:0002341","CHEMONTID:0001091","CHEMONTID:0000291","CHEMONTID:0001099","CHEMONTID:0001030","CHEMONTID:0002311","CHEMONTID:0004144","CHEMONTID:0003890","CHEMONTID:0000160","CHEMONTID:000... | {"us":3} | null |
InChI=1S/C20H12F3IN4O/c21-20(22,23)15-10-25-19(26-11-15)29-17-8-4-7-16(24)18(17)28-12-14(9-27-28)13-5-2-1-3-6-13/h1-12H | BCJJHTCGILDQSB-UHFFFAOYSA-N | FC(F)(F)C1=CN=C(OC2=C(N3C=C(C=N3)C3=CC=CC=C3)C(I)=CC=C2)N=C1 | C20H12F3IN4O | null | null | 2-[3-iodo-2-(4-phenyl-1H-pyrazol-1-yl)phenoxy]-5-(trifluoromethyl)pyrimidine | null | null | null |
InChI=1S/C22H12Br4F2N4O/c23-13-8-17(32-9-14(24)15(25)10-32)20(26)31-18(13)11-4-1-2-6-16(11)30-22(33)12-5-3-7-29-19(12)21(27)28/h1-10,21H,(H,30,33) | BCJJKCXURKFULX-UHFFFAOYSA-N | FC(F)C1=C(C=CC=N1)C(=O)NC1=C(C=CC=C1)C1=C(Br)C=C(N2C=C(Br)C(Br)=C2)C(Br)=N1 | C22H12Br4F2N4O | null | null | N-{2-[3,6-dibromo-5-(3,4-dibromo-1H-pyrrol-1-yl)pyridin-2-yl]phenyl}-2-(difluoromethyl)pyridine-3-carboxamide | null | null | null |
InChI=1S/C6H7N7S/c7-3-4(8)11-5(10-3)12-13-6-9-1-2-14-6/h1-2H,7-8H2,(H,10,11)/b13-12+ | BCJLVOFLFPPYKW-OUKQBFOZSA-N | C1=CSC(=N1)/N=N/C2=NC(=C(N2)N)N | C6H7N7S | C1=CSC(=N1)N=NC2=NC(=C(N2)N)N | 2-[(E)-1,3-thiazol-2-yldiazenyl]-1H-imidazole-4,5-diamine | 2-[(E)-2-(1,3-thiazol-2-yl)diazen-1-yl]-1H-imidazole-4,5-diamine | null | null | null |
InChI=1S/C24H30N4O4/c1-4-32-23(29)16-10-11-20-18(14-16)17-8-5-6-9-19(17)28(20)13-7-12-25-24-26-21(30-2)15-22(27-24)31-3/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,25,26,27) | BCJLWIDMJVRODV-UHFFFAOYSA-N | CCOC(=O)C1=CC=C2N(CCCNC3=NC(OC)=CC(OC)=N3)C3=C(CCCC3)C2=C1 | C24H30N4O4 | null | null | ethyl 9-{3-[(4,6-dimethoxypyrimidin-2-yl)amino]propyl}-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylate | null | null | null |
InChI=1S/C22H25N3O4S/c1-4-5-10-22(29-17(3)26)20-9-7-6-8-19(20)21-15-25(24-23-21)30(27,28)18-13-11-16(2)12-14-18/h6-9,11-15,22H,4-5,10H2,1-3H3 | BCJMDWOJWXFGAI-UHFFFAOYSA-N | CCCCC(OC(C)=O)C1=C(C=CC=C1)C1=CN(N=N1)[S](=O)(=O)C1=CC=C(C)C=C1 | C22H25N3O4S | null | null | 1-{2-[1-(4-methylbenzenesulfonyl)-1H-1,2,3-triazol-4-yl]phenyl}pentyl acetate | null | null | null |
InChI=1S/C62H103N17O22S2/c1-30(2)22-38(70-47(84)26-66-54(92)41(28-80)76-56(94)37(17-21-103-9)72-51(89)33(6)68-46(83)25-65-50(88)32(5)63)57(95)74-39(23-31(3)4)58(96)75-40(24-49(86)87)61(99)79-19-10-12-43(79)60(98)77-42(29-81)59(97)73-35(14-15-45(64)82)55(93)69-34(7)52(90)71-36(16-20-102-8)53(91)67-27-48(85)78-18-11-13-4... | BCJOADBKMHZFBF-BVCHYADXSA-N | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)N)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O | C62H103N17O22S2 | null | null | (2S)-1-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]acetamido}-4-methylpentanamido]-4-methylpentanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanam... | null | null | null |
InChI=1S/C15H18BrClO3/c1-12-6-8-14(9-7-12)20-15(18)19-10-4-2-3-5-13(16)11-17/h5-9H,2-4,10-11H2,1H3/b13-5- | BCJOBLOYGVIKOG-ACAGNQJTSA-N | CC1=CC=C(OC(=O)OCCCC\C=C(/Br)CCl)C=C1 | C15H18BrClO3 | CC1=CC=C(OC(=O)OCCCCC=C(Br)CCl)C=C1 | null | (5Z)-6-bromo-7-chlorohept-5-en-1-yl 4-methylphenyl carbonate | null | null | null |
InChI=1S/C21H20N2O/c1-12-9-14-8-7-13(2)23-11-17(16(10-12)20(14)23)19-21(24)15-5-3-4-6-18(15)22-19/h3-6,9-11,13,19,22H,7-8H2,1-2H3 | BCJOHUOVGNWSKT-UHFFFAOYSA-N | CC1CCC2=C3N1C=C(C1NC4=CC=CC=C4C1=O)C3=CC(C)=C2 | C21H20N2O | null | null | 2-{6,11-dimethyl-1-azatricyclo[6.3.1.0⁴,¹²]dodeca-2,4,6,8(12)-tetraen-3-yl}-2,3-dihydro-1H-indol-3-one | null | null | null |
InChI=1S/C22H19F3N4O3/c1-31-21(20(30)28-12-13-4-5-27-18(8-13)15-2-3-15)10-19(29-32-21)16-6-14(11-26)7-17(9-16)22(23,24)25/h4-9,15H,2-3,10,12H2,1H3,(H,28,30) | BCJPJMUUQQIWOJ-UHFFFAOYSA-N | COC1(CC(=NO1)C1=CC(=CC(=C1)C#N)C(F)(F)F)C(=O)NCC1=CC=NC(=C1)C1CC1 | C22H19F3N4O3 | null | null | 3-[3-cyano-5-(trifluoromethyl)phenyl]-N-[(2-cyclopropylpyridin-4-yl)methyl]-5-methoxy-4,5-dihydro-1,2-oxazole-5-carboxamide | null | null | null |
InChI=1S/C18H22ClFN4O2S2/c19-13-11-16(28(25,26)23-17-22-7-10-27-17)14(20)12-15(13)21-6-5-18-3-1-8-24(18)9-2-4-18/h7,10-12,21H,1-6,8-9H2,(H,22,23) | BCJSACZNOMLHOD-UHFFFAOYSA-N | C1CC2(CCCN2C1)CCNC3=CC(=C(C=C3Cl)S(=O)(=O)NC4=NC=CS4)F | C18H22ClFN4O2S2 | O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCC23CCCN2CCC3)cc1F | 5-chloro-2-fluoro-4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide | 5-chloro-2-fluoro-4-{[2-(hexahydro-1H-pyrrolizin-7a-yl)ethyl]amino}-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide | null | null | null |
InChI=1S/C30H41FO9/c1-7-8-23-38-22-14-20-19-10-9-17-13-18(32)11-12-27(17,5)29(19,31)21(33)15-28(20,6)30(22,39-23)24(34)36-16-37-25(35)40-26(2,3)4/h11-13,19-23,33H,7-10,14-16H2,1-6H3/t19-,20-,21-,22+,23-,27-,28-,29-,30-/m0/s1 | BCJUBFMIMZZYOD-QWFFPMCXSA-N | [H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(O[C@@H](CCC)O2)C(=O)OCOC(=O)OC(C)(C)C | C30H41FO9 | [H]C12CC3([H])C4([H])CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C1(OC(CCC)O2)C(=O)OCOC(=O)OC(C)(C)C | null | {[(tert-butoxy)carbonyl]oxy}methyl (1S,2S,4R,6S,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-14,17-diene-8-carboxylate | null | null | null |
InChI=1S/C18H15ClN6OS2/c19-13-3-1-2-4-14(13)24-17(26)25-18-21-9-11(28-18)5-7-20-15-12-6-8-27-16(12)23-10-22-15/h1-4,6,8-10H,5,7H2,(H,20,22,23)(H2,21,24,25,26) | BCJUVIMLQOFTDT-UHFFFAOYSA-N | ClC1=C(NC(=O)NC2=NC=C(CCNC3=C4C=CSC4=NC=N3)S2)C=CC=C1 | C18H15ClN6OS2 | null | null | 1-(2-chlorophenyl)-3-{5-[2-({thieno[2,3-d]pyrimidin-4-yl}amino)ethyl]-1,3-thiazol-2-yl}urea | null | null | null |
InChI=1S/C24H21F5N4O3S3/c1-4-35-18-12-38-21(37-3)20(18)13-8-9-17(15(10-13)24(27,28)29)36-11-14-16(33-23(34)32(2)30-31-33)6-5-7-19(14)39-22(25)26/h5-10,12,22H,4,11H2,1-3H3 | BCJVEJYVQBAXFF-UHFFFAOYSA-N | CCOC1=CSC(SC)=C1C1=CC(=C(OCC2=C(C=CC=C2SC(F)F)N2N=NN(C)C2=O)C=C1)C(F)(F)F | C24H21F5N4O3S3 | null | null | 1-{3-[(difluoromethyl)sulfanyl]-2-({4-[4-ethoxy-2-(methylsulfanyl)thiophen-3-yl]-2-(trifluoromethyl)phenoxy}methyl)phenyl}-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C33H37N9O7/c34-23(16-43)30(46)40-27(10-19-13-37-25-8-4-2-6-22(19)25)32(48)42-28(11-20-14-35-17-39-20)33(49)41-26(31(47)38-15-29(44)45)9-18-12-36-24-7-3-1-5-21(18)24/h1-8,12-14,17,23,26-28,36-37,43H,9-11,15-16,34H2,(H,35,39)(H,38,47)(H,40,46)(H,41,49)(H,42,48)(H,44,45)/t23-,26-,27-,28-/m0/s1 | BCJVIHZZQHORSO-WHHDSKRTSA-N | N[C@@H](CO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(O)=O | C33H37N9O7 | null | null | 2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-5-yl)propanamido]-3-(1H-indol-3-yl)propanamido]acetic acid | null | null | null |
InChI=1S/C23H18FN3O6/c1-2-23(30)17-14(9-33-22(23)29)21(28)26-8-12-5-11-6-13(10-3-4-10)15(24)7-16(11)25-18(12)20(26)19(17)27(31)32/h5-7,10,30H,2-4,8-9H2,1H3/t23-/m0/s1 | BCJWNXODZVUZMH-QHCPKHFHSA-N | CC[C@@]1(O)C(=O)OCC2=C1C(=C1N(CC3=CC4=CC(C5CC5)=C(F)C=C4N=C13)C2=O)[N](=O)=O | C23H18FN3O6 | CCC1(O)C(=O)OCC2=C1C(=C1N(CC3=CC4=CC(C5CC5)=C(F)C=C4N=C13)C2=O)N(=O)=O | null | (19S)-7-cyclopropyl-19-ethyl-6-fluoro-19-hydroxy-21-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione | null | null | null |
InChI=1S/C24H14N2O3/c27-23(14-6-2-1-3-7-14)22-17-12-21-20(28-13-29-21)11-16(17)18-10-15-8-4-5-9-19(15)25-24(18)26-22/h1-12H,13H2 | BCJZGXRRKUQNAI-UHFFFAOYSA-N | O=C(C1=CC=CC=C1)C1=C2C=C3OCOC3=CC2=C2C=C3C=CC=CC3=NC2=N1 | C24H14N2O3 | null | null | 11-benzoyl-5,7-dioxa-12,14-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1,3,8,10,12,14,16,18,20-nonaene | null | null | null |
InChI=1S/C15H13Br2N5O2S/c1-2-25(24)15-13(18-12-7-9(16)3-4-20(12)15)21-5-6-22-10(14(21)23)8-11(17)19-22/h3-4,7-8H,2,5-6H2,1H3 | BCKCDZNTXHYTNW-UHFFFAOYSA-N | CC[S](=O)C1=C(N=C2C=C(Br)C=CN12)N1CCN2N=C(Br)C=C2C1=O | C15H13Br2N5O2S | null | null | 2-bromo-5-[7-bromo-3-(ethanesulfinyl)imidazo[1,2-a]pyridin-2-yl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one | null | null | null |
InChI=1S/C21H22FN5O2S/c1-13-20(14-3-5-18(22)15(9-14)11-24-21(28)23-2)26-27(25-13)17-4-6-19-16(10-17)12-30-8-7-29-19/h3-6,9-10H,7-8,11-12H2,1-2H3,(H2,23,24,28) | BCKDGWJKGHMPAD-UHFFFAOYSA-N | CNC(=O)NCC1=C(F)C=CC(=C1)C1=NN(N=C1C)C1=CC=C2OCCSCC2=C1 | C21H22FN5O2S | null | null | 1-({5-[2-(3,5-dihydro-2H-1,4-benzoxathiepin-7-yl)-5-methyl-2H-1,2,3-triazol-4-yl]-2-fluorophenyl}methyl)-3-methylurea | null | null | null |
InChI=1S/C23H19F3N6O/c1-3-32-13-15(12-28-32)20-14(2)11-19(30-31-20)16-7-4-5-9-18(16)29-22(33)21-17(23(24,25)26)8-6-10-27-21/h4-13H,3H2,1-2H3,(H,29,33) | BCKFUNAMNAVWBR-UHFFFAOYSA-N | CCN1C=C(C=N1)C1=C(C)C=C(N=N1)C1=C(NC(=O)C2=C(C=CC=N2)C(F)(F)F)C=CC=C1 | C23H19F3N6O | null | null | N-{2-[6-(1-ethyl-1H-pyrazol-4-yl)-5-methylpyridazin-3-yl]phenyl}-3-(trifluoromethyl)pyridine-2-carboxamide | null | null | null |
InChI=1S/C8H10/c1-5-8(6-2)7(3)4/h5-6H,1-4H2/q-2 | BCKOMVDCFMECKH-UHFFFAOYSA-N | [CH2-]C=C(C=C)C([CH2-])=C | C8H10 | null | null | 3-ethenyl-4-methylidenepent-2-ene-1,5-diide | null | null | null |
InChI=1S/C21H18ClFN2O4/c1-13(2)21(26)29-10-9-17(14-3-6-16(7-4-14)25(27)28)18(12-24)15-5-8-19(22)20(23)11-15/h3-8,11,17-18H,1,9-10H2,2H3/t17-,18+/m1/s1 | BCKOTDPAYHCUAN-ZVOYONDMSA-N | CC(=C)C(=O)OCC[C@@H]([C@@H](C#N)C1=CC(F)=C(Cl)C=C1)C1=CC=C(C=C1)[N](=O)=O | C21H18ClFN2O4 | CC(=C)C(=O)OCCC(C(C#N)C1=CC(F)=C(Cl)C=C1)C1=CC=C(C=C1)N(=O)=O | null | (3S,4R)-4-(4-chloro-3-fluorophenyl)-4-cyano-3-(4-nitrophenyl)butyl 2-methylprop-2-enoate | null | null | null |
InChI=1S/C31H45N7O6/c32-14-4-8-25(28(41)35-18-21-6-2-1-3-7-21)36-29(42)26(9-5-15-33)37-30(43)27-17-23(40)19-38(27)31(44)24(34)16-20-10-12-22(39)13-11-20/h1-3,6-7,10-13,23-27,39-40H,4-5,8-9,14-19,32-34H2,(H,35,41)(H,36,42)(H,37,43)/t23-,24+,25+,26+,27+/m1/s1 | BCKQUGOHHNXNOY-YLSALNBJSA-N | NCCC[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)NCC1=CC=CC=C1 | C31H45N7O6 | null | null | (2S)-5-amino-2-[(2S)-5-amino-2-{[(2S,4R)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidin-2-yl]formamido}pentanamido]-N-benzylpentanamide | null | null | null |
InChI=1S/C65H106N16O20S/c1-13-34(8)51(65(100)101)79-62(97)50(33(6)7)77-53(88)35(9)69-60(95)45-20-17-22-81(45)64(99)36(10)70-58(93)43(29-82)72-48(87)28-68-54(89)40(24-31(2)3)75-63(98)52(37(11)84)80-59(94)44(30-83)76-61(96)49(32(4)5)78-57(92)42(26-46(67)85)74-56(91)41(25-38-18-15-14-16-19-38)73-55(90)39(21-23-102-12)71-4... | BCKQXVMICJFTSL-GITBZGTGSA-N | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCSC)NC(=O)CN)C(C)C)[C@@H](C)O)C(C)C)C(O)=O | C65H106N16O20S | null | null | (2S,3S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-carbamoylpropanamido]-3-methylbutanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-4-methylpentanamido]acetamido}-3-hydroxypropanamid... | null | null | null |
InChI=1S/C27H51NO4/c1-3-5-7-9-11-13-14-15-17-19-21-24(23-26(30)31)28-27(32)25(29)22-20-18-16-12-10-8-6-4-2/h24H,3-23H2,1-2H3,(H,28,32)(H,30,31)/t24-/m0/s1 | BCKUVKFOKYSZCY-DEOSSOPVSA-N | CCCCCCCCCCCC[C@@H](CC(O)=O)NC(=O)C(=O)CCCCCCCCCC | C27H51NO4 | CCCCCCCCCCCCC(CC(O)=O)NC(=O)C(=O)CCCCCCCCCC | null | (3S)-3-(2-oxododecanamido)pentadecanoic acid | null | null | null |
InChI=1S/C18H15NO/c1-14(13-19)18(20)17-10-6-5-9-16(17)12-11-15-7-3-2-4-8-15/h2-10,14,18,20H,1H3/t14-,18+/m1/s1 | BCKUZRFSCYXRGZ-FDZZJVBBSA-N | C[C@H](C#N)[C@H](O)C1=C(C=CC=C1)C#CC1=CC=CC=C1 | C18H15NO | null | null | (2R,3S)-3-hydroxy-2-methyl-3-[2-(2-phenylethynyl)phenyl]propanenitrile | null | null | null |
InChI=1S/C15H31NO3/c1-11(12(17)18-15(8,9)10)19-16(13(2,3)4)14(5,6)7/h11H,1-10H3 | BCLASLBAJJQOOD-UHFFFAOYSA-N | CC(C(=O)OC(C)(C)C)ON(C(C)(C)C)C(C)(C)C | C15H31NO3 | CC(C(=O)OC(C)(C)C)ON(C(C)(C)C)C(C)(C)C | tert-butyl 2-(ditert-butylamino)oxypropanoate | tert-butyl 2-[(di-tert-butylamino)oxy]propanoate | {"alternativeParents":["CHEMONTID:0000158","CHEMONTID:0001137","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"CHEMONTID:0001238","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aliphatic acyclic compounds","subclass":"CHEMONTID:0001093","substituents":["Carboxyli... | null | null |
InChI=1S/C21H14F6N4O2/c1-8-17(20(33)30-15-4-9-7-28-31-14(9)6-13(15)22)11(5-16(32)29-8)10-2-3-12(21(25,26)27)19(24)18(10)23/h2-4,6-7,11H,5H2,1H3,(H,28,31)(H,29,32)(H,30,33) | BCLBESBRAWCCKU-UHFFFAOYSA-N | CC1=C(C(CC(=O)N1)C1=C(F)C(F)=C(C=C1)C(F)(F)F)C(=O)NC1=C(F)C=C2NN=CC2=C1 | C21H14F6N4O2 | CC1=C(C(CC(=O)N1)C2=C(C(=C(C=C2)C(F)(F)F)F)F)C(=O)NC3=C(C=C4C(=C3)C=NN4)F | 4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide | 4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(6-fluoro-1H-indazol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxamide | {"intermediateNodes":[],"alternativeParents":["CHEMONTID:0000080","CHEMONTID:0003282","CHEMONTID:0001934","CHEMONTID:0001100","CHEMONTID:0001031","CHEMONTID:0003890","CHEMONTID:0004144","CHEMONTID:0000087","CHEMONTID:0001663","CHEMONTID:0000160","CHEMONTID:0004139","CHEMONTID:0004150","CHEMONTID:0001027","CHEMONTID:000... | {"wo":1,"ep":2,"us":2} | null |
InChI=1S/C16H14Cl2F3N3O/c1-8-7-24(15(2,3)12-6-16(17,18)25-23-12)22-14(8)13-10(20)4-9(19)5-11(13)21/h4-5,7H,6H2,1-3H3 | BCLDFSHKXMQHSF-UHFFFAOYSA-N | CC1=CN(N=C1C1=C(F)C=C(F)C=C1F)C(C)(C)C1=NOC(Cl)(Cl)C1 | C16H14Cl2F3N3O | null | null | 5,5-dichloro-3-{2-[4-methyl-3-(2,4,6-trifluorophenyl)-1H-pyrazol-1-yl]propan-2-yl}-4,5-dihydro-1,2-oxazole | null | null | null |
InChI=1S/C20H21N7O4/c1-3-13-7-5-6-8-14(13)11-25-17-16(23-27(24-17)19-22-9-10-31-19)18(29)26(20(25)30)12-15(28)21-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,21,28) | BCLGALWJDZYXHZ-UHFFFAOYSA-N | CCNC(=O)CN1C(=O)N(CC2=C(CC)C=CC=C2)C2=NN(N=C2C1=O)C1=NC=CO1 | C20H21N7O4 | null | null | N-ethyl-2-{4-[(2-ethylphenyl)methyl]-2-(1,3-oxazol-2-yl)-5,7-dioxo-2H,4H,5H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide | null | null | null |
InChI=1S/C24H27ClN4O3.ClH/c1-17-15-21(28(2)23(17)24(30)18-3-5-19(25)6-4-18)16-20-7-8-22(27-26-20)32-14-11-29-9-12-31-13-10-29;/h3-8,15H,9-14,16H2,1-2H3;1H | BCLHGROUZDALLB-UHFFFAOYSA-N | CC1=C(N(C(=C1)CC2=NN=C(C=C2)OCCN3CCOCC3)C)C(=O)C4=CC=C(C=C4)Cl.Cl | C24H28Cl2N4O3 | CC1=C(N(C(=C1)CC2=NN=C(C=C2)OCCN3CCOCC3)C)C(=O)C4=CC=C(C=C4)Cl.Cl | (4-chlorophenyl)-[1,3-dimethyl-5-[[6-(2-morpholin-4-ylethoxy)pyridazin-3-yl]methyl]pyrrol-2-yl]methanone;hydrochloride | 4-{2-[(6-{[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]methyl}pyridazin-3-yl)oxy]ethyl}morpholine hydrochloride | null | null | null |
InChI=1S/C7H9ClN6O4S2/c1-12(2)20(17,18)14-5-9-7(11-14)19(15,16)13-4-6(8)3-10-13/h3-5H,1-2H3 | BCLHRVRXJFGRTO-UHFFFAOYSA-N | CN(C)[S](=O)(=O)N1C=NC(=N1)[S](=O)(=O)N1C=C(Cl)C=N1 | C7H9ClN6O4S2 | null | null | 3-[(4-chloro-1H-pyrazol-1-yl)sulfonyl]-N,N-dimethyl-1H-1,2,4-triazole-1-sulfonamide | null | null | null |
InChI=1S/C37H64N12O7/c1-25(50)45-30(12-7-9-16-49(3,4)5)36(55)43-18-26-21-48(22-26)23-33(52)42-20-32(51)46-31(17-27-19-39-24-44-27)37(56)47-29(34(53)38-2)11-6-8-14-41-35(54)28-13-10-15-40-28/h19,24,26,28-31,40H,6-18,20-23H2,1-5H3,(H7-,38,39,41,42,43,44,45,46,47,50,51,52,53,54,55,56)/p+1/t28-,29-,30-,31-/m0/s1 | BCLIMUWFFDGXFF-ORYMTKCHSA-O | CNC(=O)[C@H](CCCCNC(=O)[C@@H]1CCCN1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)CN1CC(CNC(=O)[C@H](CCCC[N+](C)(C)C)NC(C)=O)C1 | C37H65N12O7 | CNC(=O)C(CCCCNC(=O)C1CCCN1)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)CN1CC(CNC(=O)C(CCCC[N+](C)(C)C)NC(C)=O)C1 | null | [(5S)-5-acetamido-5-{[(1-{[({[(1S)-2-(1H-imidazol-5-yl)-1-{[(1S)-1-(methylcarbamoyl)-5-{[(2S)-pyrrolidin-2-yl]formamido}pentyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]methyl}azetidin-3-yl)methyl]carbamoyl}pentyl]trimethylazanium | null | null | null |
InChI=1S/C11H14N4OS/c1-3-10-13-14-11(15(10)2)17(16)8-9-6-4-5-7-12-9/h4-7H,3,8H2,1-2H3 | BCLIVMHIPTXZGN-UHFFFAOYSA-N | CCC1=NN=C(N1C)[S](=O)CC1=CC=CC=N1 | C11H14N4OS | null | null | 2-{[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfinyl]methyl}pyridine | null | null | null |
InChI=1S/C21H13ClN2O3S/c22-13-6-8-14(9-7-13)24-20(27)17(19(26)23-21(24)28)11-16-15-4-2-1-3-12(15)5-10-18(16)25/h1-11,25H,(H,23,26,28) | BCLJGWPEESCJTI-UHFFFAOYSA-N | OC1=C(C=C2C(=O)NC(=S)N(C2=O)C2=CC=C(Cl)C=C2)C2=C(C=CC=C2)C=C1 | C21H13ClN2O3S | OC1=C(C=C2C(=O)NC(=S)N(C2=O)C2=CC=C(Cl)C=C2)C2=C(C=CC=C2)C=C1 | 1-(4-chlorophenyl)-5-[(2-hydroxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | 1-(4-chlorophenyl)-5-[(2-hydroxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | {"alternativeParents":["CHEMONTID:0002980","CHEMONTID:0001122","CHEMONTID:0001099","CHEMONTID:0004646","CHEMONTID:0002389","CHEMONTID:0001030","CHEMONTID:0001209","CHEMONTID:0000265","CHEMONTID:0004139","CHEMONTID:0000278","CHEMONTID:0001516","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"... | null | null |
InChI=1S/C14H16O4/c1-5-6-10(15)7-12-13(17-3)8-11(16-2)9-14(12)18-4/h6,8-9H,1,7H2,2-4H3 | BCLKEQMHMKOKRG-UHFFFAOYSA-N | COC1=CC(=C(C(=C1)OC)CC(=O)C=C=C)OC | C14H16O4 | COC1=CC(=C(C(=C1)OC)CC(=O)C=C=C)OC | 1-(2,4,6-trimethoxyphenyl)penta-3,4-dien-2-one | 1-(2,4,6-trimethoxyphenyl)penta-3,4-dien-2-one | {"alternativeParents":["CHEMONTID:0004742","CHEMONTID:0004113","CHEMONTID:0000128","CHEMONTID:0001363","CHEMONTID:0000275","CHEMONTID:0000118","CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"CHEMONTID:0000138","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aromatic homomonocyclic co... | null | null |
InChI=1S/C13H5ClN3O.C8H20N/c14-12(8-17)10(6-15)11(7-16)13(18)9-4-2-1-3-5-9;1-5-9(6-2,7-3)8-4/h1-5H;5-8H2,1-4H3/q-1;+1 | BCLLMWUCAKCPFV-UHFFFAOYSA-N | CC[N+](CC)(CC)CC.ClC(C#N)=C(C#N)[C-](C#N)C(=O)C1=CC=CC=C1 | C21H25ClN4O | null | null | 4-chloro-2,3,4-tricyano-1-oxo-1-phenylbut-3-en-2-ide; tetraethylazanium | null | null | null |
InChI=1S/C32H42N8O6/c33-29(40-11-7-32(8-12-40)44-17-18-45-32)25-3-1-24(2-4-25)27-19-26(46-37-27)21-38-13-15-39(16-14-38)22-28(30(41)42)36-31(43)35-20-23-5-9-34-10-6-23/h1-6,9-10,26,28,33H,7-8,11-22H2,(H,41,42)(H2,35,36,43) | BCLLVNQLIZOQHX-UHFFFAOYSA-N | OC(=O)C(CN1CCN(CC2CC(=NO2)C2=CC=C(C=C2)C(=N)N2CCC3(CC2)OCCO3)CC1)NC(=O)NCC1=CC=NC=C1 | C32H42N8O6 | null | null | 3-(4-{[3-(4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carboximidoyl}phenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)-2-({[(pyridin-4-yl)methyl]carbamoyl}amino)propanoic acid | null | null | null |
InChI=1S/C37H21NOS/c1-3-12-24-22(10-1)33(29-16-8-20-32-35(29)28-14-5-6-19-31(28)40-32)23-11-2-4-13-25(23)34(24)30-17-7-15-26-27-18-9-21-38-37(27)39-36(26)30/h1-21H/i1D,2D,3D,4D,10D,11D,12D,13D | BCLMEVVFOIBACQ-GCSMDHJWSA-N | [2H]C1=C([2H])C2=C(C([2H])=C1[2H])C(C1=C3C(SC4=CC=CC=C34)=CC=C1)=C1C([2H])=C([2H])C([2H])=C([2H])C1=C2C1=C2OC3=NC=CC=C3C2=CC=C1 | C37H21NOS | [2H]C1=C([2H])C2=C(C([2H])=C1[2H])C(C1=C3C(SC4=CC=CC=C34)=CC=C1)=C1C([2H])=C([2H])C([2H])=C([2H])C1=C2C1=C2OC3=NC=CC=C3C2=CC=C1 | null | 10-(10-{8-thiatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-3-yl}(1,2,3,4,5,6,7,8-²H₈)anthracen-9-yl)-8-oxa-6-azatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaene | null | null | null |
InChI=1S/C30H25N3O4/c1-17-14-23(19(3)31-25-11-6-5-10-22(25)30(35)36)29-24(15-17)28(34)18(2)26(37-29)13-12-20-8-7-9-21-16-33(4)32-27(20)21/h5-11,14-16,19,31H,1-4H3,(H,35,36) | BCLQFKJZUAMEIZ-UHFFFAOYSA-N | CC(NC1=C(C=CC=C1)C(O)=O)C1=C2OC(C#CC3=CC=CC4=CN(C)N=C34)=C(C)C(=O)C2=CC(C)=C1 | C30H25N3O4 | CC(NC1=C(C=CC=C1)C(O)=O)C1=C2OC(C#CC3=CC=CC4=CN(C)N=C34)=C(C)C(=O)C2=CC(C)=C1 | null | 2-[(1-{3,6-dimethyl-2-[2-(2-methyl-2H-indazol-7-yl)ethynyl]-4-oxo-4H-chromen-8-yl}ethyl)amino]benzoic acid | null | null | null |
InChI=1S/C33H30N2O6S/c36-26-19-40-33(41-26)15-7-10-23(17-33)35-31(20-8-3-1-4-9-20)34-18-25(32(35)39)29(38)27-28(37)21-13-14-22(16-21)30(27)42-24-11-5-2-6-12-24/h1-9,11-12,15,18,21-23,30,37H,10,13-14,16-17,19H2 | BCLQKTJJQKTBND-UHFFFAOYSA-N | OC1=C(C(SC2=CC=CC=C2)C2CCC1C2)C(=O)C1=CN=C(N(C2CC=CC3(C2)OCC(=O)O3)C1=O)C1=CC=CC=C1 | C33H30N2O6S | null | null | 5-[2-hydroxy-4-(phenylsulfanyl)bicyclo[3.2.1]oct-2-ene-3-carbonyl]-3-{2-oxo-1,4-dioxaspiro[4.5]dec-9-en-7-yl}-2-phenyl-3,4-dihydropyrimidin-4-one | null | null | null |
InChI=1S/C46H26N6O.Pt/c1-4-12-29(13-5-1)40-28-49-45-36-26-32(20-22-34(36)42-38(51(40)45)18-10-24-47-42)53-33-21-23-35-37(27-33)46-50-41(30-14-6-2-7-15-30)44(31-16-8-3-9-17-31)52(46)39-19-11-25-48-43(35)39;/h1-25,28H;/q-2;+2 | BCLQXFNXFGJSCW-UHFFFAOYSA-N | C1=CC=C(C=C1)C2=CN=C3N2C4=C(C5=C3[C-]=C(C=C5)OC6=[C-]C7=C(C=C6)C8=C(C=CC=N8)N9C7=NC(=C9C1=CC=CC=C1)C1=CC=CC=C1)N=CC=C4.[Pt+2] | C46H26N6OPt | C1=CC=C(C=C1)C2=CN=C3N2C4=C(C5=C3[C-]=C(C=C5)OC6=[C-]C7=C(C=C6)C8=C(C=CC=N8)N9C7=NC(=C9C1=CC=CC=C1)C1=CC=CC=C1)N=CC=C4.[Pt+2] | null | null | null | null | null |
InChI=1S/C13H23NO/c1-6-7-8-9-10-11-12(14-15-5)13(2,3)4/h6-9H2,1-5H3 | BCLSFENBXVOBDY-UHFFFAOYSA-N | CCCCCC#CC(=NOC)C(C)(C)C | C13H23NO | null | null | (2,2-dimethyldec-4-yn-3-ylidene)(methoxy)amine | null | null | null |
InChI=1S/C22H22N4O3/c1-4-28-21-17(20(27)18-12-24-22-16(18)8-6-10-23-22)7-5-9-19(21)29-13-15-11-14(2)25-26(15)3/h5-12H,4,13H2,1-3H3,(H,23,24) | BCLXPJFJZUKYCN-UHFFFAOYSA-N | CCOC1=C(C=CC=C1OCC2=CC(=NN2C)C)C(=O)C3=CNC4=C3C=CC=N4 | C22H22N4O3 | CCOC1=C(C=CC=C1OCC2=CC(=NN2C)C)C(=O)C3=CNC4=C3C=CC=N4 | [3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2-ethoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone | 5-[(2-ethoxy-3-{1H-pyrrolo[2,3-b]pyridine-3-carbonyl}phenoxy)methyl]-1,3-dimethyl-1H-pyrazole | {"intermediateNodes":["CHEMONTID:0000118","CHEMONTID:0003670","CHEMONTID:0004296"],"alternativeParents":["CHEMONTID:0000213","CHEMONTID:0004742","CHEMONTID:0002341","CHEMONTID:0000321","CHEMONTID:0000128","CHEMONTID:0002257","CHEMONTID:0000089","CHEMONTID:0003890","CHEMONTID:0000087","CHEMONTID:0004144","CHEMONTID:0004... | {"no":1,"jp":1,"wo":4,"ep":1,"ca":1,"us":1} | null |
InChI=1S/C22H28N2O5S/c1-7-15-13(3)12-17-16(10-9-11-18(17)28-5)19(15)20-21(29-30(6,26)27)14(4)23-24(8-2)22(20)25/h9-11,13H,7-8,12H2,1-6H3 | BCLXQFRVBOEADV-UHFFFAOYSA-N | CCN1N=C(C)C(O[S](C)(=O)=O)=C(C1=O)C1=C(CC)C(C)CC2=C(OC)C=CC=C12 | C22H28N2O5S | null | null | 1-ethyl-5-(2-ethyl-5-methoxy-3-methyl-3,4-dihydronaphthalen-1-yl)-3-methyl-6-oxo-1,6-dihydropyridazin-4-yl methanesulfonate | null | null | null |
InChI=1S/C42H39N4O9P/c1-29-27-46(41(48)45-40(29)47)38-26-36(55-56(49,52-25-11-23-43)54-35-18-9-12-30-13-10-24-44-39(30)35)37(53-38)28-51-42(31-14-5-3-6-15-31,32-16-7-4-8-17-32)33-19-21-34(50-2)22-20-33/h3-10,12-22,24,27,36-38H,11,25-26,28H2,1-2H3,(H,45,47,48)/t36-,37+,38+,56?/m0/s1 | BCMFFBBHADREPL-GHFFOPBTSA-N | COC1=CC=C(C=C1)C(OC[C@H]1O[C@H](C[C@@H]1O[P](=O)(OCCC#N)OC1=CC=CC2=C1N=CC=C2)N1C=C(C)C(=O)NC1=O)(C1=CC=CC=C1)C1=CC=CC=C1 | C42H39N4O9P | COC1=CC=C(C=C1)C(OCC1OC(CC1OP(=O)(OCCC#N)OC1=CC=CC2=C1N=CC=C2)N1C=C(C)C(=O)NC1=O)(C1=CC=CC=C1)C1=CC=CC=C1 | null | 3-[({[(2R,3S,5R)-2-{[(4-methoxyphenyl)diphenylmethoxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]oxy}(quinolin-8-yloxy)phosphoryl)oxy]propanenitrile | null | null | null |
InChI=1S/C39H69N9O11/c1-12-21(8)31(47-35(54)28(40)24(11)49)38(57)48-15-13-14-26(48)34(53)46-29(19(4)5)36(55)43-22(9)32(51)41-17-27(50)42-23(10)33(52)45-30(20(6)7)37(56)44-25(39(58)59)16-18(2)3/h18-26,28-31,49H,12-17,40H2,1-11H3,(H,41,51)(H,42,50)(H,43,55)(H,44,56)(H,45,52)(H,46,53)(H,47,54)(H,58,59)/t21-,22-,23-,24+,25... | BCMFOARAKSMIQG-RUZAYLSWSA-N | CC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O | C39H69N9O11 | null | null | (2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]propanamido]acetamido}propanamido]-3-methylbutanamido]-4-methylpentanoic acid | null | null | null |
InChI=1S/C40H72N12O14/c1-8-21(6)31(38(64)50-27(17-53)37(63)51-28(18-54)39(65)66)52-36(62)26(15-20(4)5)49-35(61)25(14-19(2)3)48-34(60)24(11-12-30(56)57)47-33(59)23(10-9-13-44-40(42)43)46-29(55)16-45-32(58)22(7)41/h19-28,31,53-54H,8-18,41H2,1-7H3,(H,45,58)(H,46,55)(H,47,59)(H,48,60)(H,49,61)(H,50,64)(H,51,63)(H,52,62)(H,... | BCMGHPDQANZWIQ-QFMWTSRZSA-N | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O | C40H72N12O14 | null | null | (4S)-4-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-5-carbamimidamidopentanamido]-4-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid | null | null | null |
InChI=1S/C13H8Cl4N2S/c1-20-6-19-12(8(5-18)11(16)13(19)17)7-2-3-9(14)10(15)4-7/h2-4H,6H2,1H3 | BCMLTGGNEYBMFU-UHFFFAOYSA-N | CSCN1C(Cl)=C(Cl)C(C#N)=C1C1=CC(Cl)=C(Cl)C=C1 | C13H8Cl4N2S | null | null | 4,5-dichloro-2-(3,4-dichlorophenyl)-1-[(methylsulfanyl)methyl]-1H-pyrrole-3-carbonitrile | null | null | null |
InChI=1S/C20H15FN4OS/c1-12-17(10-22)24(2)23-19(12)14-8-16-18(9-15(14)21)27-20(26)25(16)11-13-6-4-3-5-7-13/h3-9H,11H2,1-2H3 | BCMREUVQLXYMDS-UHFFFAOYSA-N | CN1N=C(C(C)=C1C#N)C1=C(F)C=C2SC(=O)N(CC3=CC=CC=C3)C2=C1 | C20H15FN4OS | null | null | 3-(3-benzyl-6-fluoro-2-oxo-2,3-dihydro-1,3-benzothiazol-5-yl)-1,4-dimethyl-1H-pyrazole-5-carbonitrile | null | null | null |
InChI=1S/C58H91N17O24/c1-9-25(4)45(74-41(79)23-63-46(86)26(5)64-50(90)30-12-10-14-61-30)56(96)67-29(8)49(89)69-32(17-38(59)76)51(91)66-28(7)48(88)70-34(20-43(82)83)54(94)71-33(19-42(80)81)52(92)65-27(6)47(87)62-22-40(78)68-31(16-24(2)3)53(93)72-35(21-44(84)85)57(97)75-15-11-13-37(75)55(95)73-36(58(98)99)18-39(60)77/h24... | BCMUQTZHAJHLDG-LJQYWQSQSA-N | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(O)=O | C58H91N17O24 | null | null | (3S)-4-[(2S)-2-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-3-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-2-[(2S,3S)-3-methyl-2-{2-[(2S)-2-{[(2S)-pyrrolidin-2-yl]formamido}propanamido]acetamido}pentanamido]propanamido]propanamido]propanamido]-3-carboxypropanamido]-3-carboxypropa... | null | null | null |
InChI=1S/C53H71N11O17/c1-5-28(4)44(52(79)64-19-9-12-39(64)50(77)60-37(24-42(70)71)48(75)61-38(53(80)81)21-29-10-7-6-8-11-29)63-51(78)43(27(2)3)62-49(76)36(22-31-25-55-26-56-31)59-46(73)34(17-18-40(66)67)57-47(74)35(20-30-13-15-32(65)16-14-30)58-45(72)33(54)23-41(68)69/h6-8,10-11,13-16,25-28,33-39,43-44,65H,5,9,12,17-24... | BCMZDGXFVHVGEX-MVUFUVCWSA-N | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O | C53H71N11O17 | null | null | (4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-{[(1S)-1-{[(1S)-1-{[(2S,3S)-1-[(2S)-2-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}butan... | null | null | null |
InChI=1S/C23H19F7N6O4S/c1-11-7-16(13(23(28,29)30)8-15(11)35-9-18(38-3)31-21(35)40-19(24)25)39-10-12-14(36-22(37)34(2)32-33-36)5-4-6-17(12)41-20(26)27/h4-9,19-20H,10H2,1-3H3 | BCNDFBDMGQQTGL-UHFFFAOYSA-N | COC1=CN(C(OC(F)F)=N1)C1=CC(=C(OCC2=C(C=CC=C2SC(F)F)N2N=NN(C)C2=O)C=C1C)C(F)(F)F | C23H19F7N6O4S | null | null | 1-[2-({4-[2-(difluoromethoxy)-4-methoxy-1H-imidazol-1-yl]-5-methyl-2-(trifluoromethyl)phenoxy}methyl)-3-[(difluoromethyl)sulfanyl]phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one | null | null | null |
InChI=1S/C12H14BrN3O2/c1-9(7-14)16-8-10(13)6-11(12(16)17)15-2-4-18-5-3-15/h6,8-9H,2-5H2,1H3/t9-/m0/s1 | BCNGYLBMMXNFCY-VIFPVBQESA-N | C[C@@H](C#N)N1C=C(C=C(C1=O)N2CCOCC2)Br | C12H14BrN3O2 | CC(C#N)N1C=C(C=C(C1=O)N2CCOCC2)Br | (2S)-2-(5-bromo-3-morpholin-4-yl-2-oxopyridin-1-yl)propanenitrile | (2S)-2-[5-bromo-3-(morpholin-4-yl)-2-oxo-1,2-dihydropyridin-1-yl]propanenitrile | {"intermediateNodes":["CHEMONTID:0002452","CHEMONTID:0002454"],"alternativeParents":["CHEMONTID:0001160","CHEMONTID:0000367","CHEMONTID:0000283","CHEMONTID:0000392","CHEMONTID:0001029","CHEMONTID:0004144","CHEMONTID:0000160","CHEMONTID:0004140","CHEMONTID:0000362","CHEMONTID:0001167","CHEMONTID:0004139","CHEMONTID:0001... | {"wo":1,"cn":1,"us":3} | null |
InChI=1S/C40H28N4O2.Pd/c1-25(2)42-40(45)31-23-38-30(28-14-6-7-20-37(28)46-38)22-36(31)44-24-32-27(15-10-16-29(32)39(44)26-12-4-3-5-13-26)33-18-11-19-35(43-33)34-17-8-9-21-41-34;/h3-23,25H,1-2H3;/q-2;+2 | BCNHJGZJZWTGGU-UHFFFAOYSA-N | CC(C)[N-]1C(=O)C2=CC3=C(C=C2N2C(=C4C=CC=C5C4=[C-]2[Pd++]11[N]2=CC=CC=C2C2=[N]1C5=CC=C2)C1=CC=CC=C1)C1=CC=CC=C1O3 |c:8,10,16,18,21,28,30,33,39,44,46,51,53,t:6,14,26,37,42,49,(7.65,12.68,;8.68,11.54,;10.18,11.85,;8.2,10.07,;6.96,10.72,;6.84,12.26,;5.83,9.88,;4.31,10.11,;3.35,8.9,;3.92,7.47,;5.44,7.24,;6.4,8.45,;7.4,7.9,;... | C40H28N4O2Pd | null | null | null | null | null | null |
InChI=1S/C18H18N2O/c1-2-6-15(7-3-1)20-18(14-10-12-21-13-11-14)16-8-4-5-9-17(16)19-20/h1-9,14H,10-13H2 | BCNHPQVQIWQIMU-UHFFFAOYSA-N | C1CC(CCO1)C1=C2C=CC=CC2=NN1C1=CC=CC=C1 | C18H18N2O | C1CC(CCO1)C1=C2C=CC=CC2=NN1C1=CC=CC=C1 | null | 3-(oxan-4-yl)-2-phenyl-2H-indazole | null | null | null |
InChI=1S/C21H22FN5O3S2/c1-10-18(32-11(2)23-10)16-9-31-21(24-16)26-17-4-3-15(19(22)25-17)20(29)27-12-5-14(28)6-13(27)8-30-7-12/h3-4,9,12-14,28H,5-8H2,1-2H3,(H,24,25,26)/t12-,13+,14- | BCNILRNZDDCDHX-BTTYYORXSA-N | [H][C@]12COC[C@]([H])(C[C@H](O)C1)N2C(=O)C1=C(F)N=C(NC2=NC(=CS2)C2=C(C)N=C(C)S2)C=C1 | C21H22FN5O3S2 | null | null | (1R,5S,7s)-9-(6-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino}-2-fluoropyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol | null | null | null |
InChI=1S/C6H6N6OS2/c13-4(10-6-12-9-3-15-6)1-7-5-11-8-2-14-5/h2-3H,1H2,(H,7,11)(H,10,12,13) | BCNKDFKUTGHLTE-UHFFFAOYSA-N | C1=NN=C(S1)NCC(=O)NC2=NN=CS2 | C6H6N6OS2 | C1=NN=C(S1)NCC(=O)NC2=NN=CS2 | N-(1,3,4-thiadiazol-2-yl)-2-(1,3,4-thiadiazol-2-ylamino)acetamide | N-(1,3,4-thiadiazol-2-yl)-2-[(1,3,4-thiadiazol-2-yl)amino]acetamide | {"alternativeParents":["CHEMONTID:0003282","CHEMONTID:0004001","CHEMONTID:0004144","CHEMONTID:0001663","CHEMONTID:0004139","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831","CHEMONTID:0002449"],"directParent":"CHEMONTID:0002309","intermediateNodes":["CHEMONTID:0000347","CHEMONTID:0000060"],"kingdom":"CHEMONTI... | null | null |
InChI=1S/C24H29N5O5/c1-16(2)34-20-13-11-18(12-14-20)22(27-32-6)17(3)26-33-15-19-9-7-8-10-21(19)29-23(31-5)25-28(4)24(29)30/h7-14,16H,15H2,1-6H3 | BCNKLKXMDLJWOB-UHFFFAOYSA-N | CON=C(C(C)=NOCC1=C(C=CC=C1)N1C(=O)N(C)N=C1OC)C1=CC=C(OC(C)C)C=C1 | C24H29N5O5 | null | null | 3-methoxy-1-methyl-4-(2-{4-methyl-5-[4-(propan-2-yloxy)phenyl]-2,7-dioxa-3,6-diazaocta-3,5-dien-1-yl}phenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one | null | null | null |
InChI=1S/C17H18N4O2S2/c1-4-24-16-14(19-17-18-9-6-10-21(16)17)20(2)15(22)12-7-5-8-13(11-12)25(3)23/h5-11H,4H2,1-3H3 | BCNKVUKSNZSYFC-UHFFFAOYSA-N | CCSC1=C(N=C2N=CC=CN12)N(C)C(=O)C1=CC(=CC=C1)[S](C)=O | C17H18N4O2S2 | null | null | N-[3-(ethylsulfanyl)imidazo[1,2-a]pyrimidin-2-yl]-3-methanesulfinyl-N-methylbenzamide | null | null | null |
InChI=1S/C7H17PS/c1-4-7-9-8(5-2)6-3/h4-7H2,1-3H3 | BCNOYKXZTALOFX-UHFFFAOYSA-N | CCCSP(CC)CC | C7H17PS | null | null | diethyl(propylsulfanyl)phosphane | null | null | null |
InChI=1S/C26H34ClNOS2/c1-6-8-9-24(20(4)7-2)31-26(28-22-13-11-21(27)12-14-22)16-17-30-25-15-10-19(3)18-23(25)29-5/h10-18,20,24H,6-9H2,1-5H3/b17-16+,28-26? | BCNQIQDAXHEOGV-WJOAWRPDSA-N | CCCCC(SC(\C=C\SC1=C(OC)C=C(C)C=C1)=NC1=CC=C(Cl)C=C1)C(C)CC | C26H34ClNOS2 | null | null | (2E)-N-(4-chlorophenyl)-3-[(2-methoxy-4-methylphenyl)sulfanyl]-1-[(3-methyloctan-4-yl)sulfanyl]prop-2-en-1-imine | null | null | null |
InChI=1S/C11H10N4O3S/c1-18-7-5-3-2-4-6(7)14-15-8-9(16)12-11(19)13-10(8)17/h2-5,14H,1H3,(H2,12,13,16,17,19) | BCNQQTUCDMLXMY-UHFFFAOYSA-N | COC1=C(NN=C2C(=O)NC(=S)NC2=O)C=CC=C1 | C11H10N4O3S | COc1ccccc1NN=C1C(=O)NC(=S)NC1=O | 5-[(2-methoxyphenyl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | 5-[2-(2-methoxyphenyl)hydrazin-1-ylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | {"alternativeParents":["CHEMONTID:0003999","CHEMONTID:0000113","CHEMONTID:0004742","CHEMONTID:0004113","CHEMONTID:0000138","CHEMONTID:0000128","CHEMONTID:0002389","CHEMONTID:0001209","CHEMONTID:0000116","CHEMONTID:0000265","CHEMONTID:0004139","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"... | null | null |
InChI=1S/C51H31N3S/c1-3-13-33(14-4-1)49-52-44-21-11-12-22-46(44)54(49)36-26-23-32(24-27-36)35-25-28-39-43(31-35)51(40-19-9-7-17-37(40)38-18-8-10-20-41(38)51)42-29-30-45-48(47(39)42)55-50(53-45)34-15-5-2-6-16-34/h1-31H | BCNXWVFZAIHSAR-UHFFFAOYSA-N | S1C(=NC2=CC=C3C(=C12)C1=CC=C(C=C1C31C2=CC=CC=C2C2=CC=CC=C12)C1=CC=C(C=C1)N1C2=CC=CC=C2N=C1C1=CC=CC=C1)C1=CC=CC=C1 | C51H31N3S | null | null | 2'-phenyl-8'-[4-(2-phenyl-1H-1,3-benzodiazol-1-yl)phenyl]spiro[fluorene-9,6'-fluoreno[3,4-d][1,3]thiazole] | null | null | null |
InChI=1S/C13H17N3O4/c1-5-10-14-11(7-15(10)3)16-12(20-8(2)17)6-9(19-4)13(16)18/h6-7,12H,5H2,1-4H3 | BCNYOJFYRIANJG-UHFFFAOYSA-N | CCC1=NC(=CN1C)N1C(OC(C)=O)C=C(OC)C1=O | C13H17N3O4 | null | null | 1-(2-ethyl-1-methyl-1H-imidazol-4-yl)-4-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl acetate | null | null | null |
InChI=1S/C42H36N5.F6P/c1-27(2)29-16-21-38-41(23-29)44(28(3)4)26-45(38)30-17-19-34-32-11-5-7-13-36(32)46(39(34)24-30)31-18-20-35-33-12-6-8-14-37(33)47(40(35)25-31)42-15-9-10-22-43-42;1-7(2,3,4,5)6/h5-28H,1-4H3;/q+1;-1 | BCNYQCVWRJMEJQ-UHFFFAOYSA-N | [F-][P+5]([F-])([F-])([F-])([F-])[F-].CC(C)N1C=[N+](C2=CC=C(C=C12)C(C)C)C1=CC=C2C(=C1)N(C1=CC=CC=C21)C1=CC=C2C(=C1)N(C1=CC=CC=C21)C1=CC=CC=N1 | C42H36F6N5P | null | null | 3,5-bis(propan-2-yl)-1-[9-(pyridin-2-yl)-9H-[2,9'-bicarbazol]-2'-yl]-3H-1λ⁵,3-benzodiazol-1-ylium; [pentakis(λ²-fluoranidyl)-λ¹-phosphanepentaiumyl]-λ²-fluoranide | null | null | null |
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