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chemical-structure

Dataset card Data Studio Files
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 Community
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/C27H31N9O2S/c1-17-5-4-6-21(31-17)25-28-9-7-23(34-25)33-24-8-10-29-27(35-24)32-20-13-22(39-16-20)26(37)38-12-11-36-14-18(2)30-19(3)15-36/h4-10,13,16,18-19,30H,11-12,14-15H2,1-3H3,(H2,28,29,32,33,34,35)/t18-,19+
BNIHBGWCJMWJSE-KDURUIRLSA-N
C[C@@H]1CN(C[C@@H](N1)C)CCOC(=O)C2=CC(=CS2)NC3=NC=CC(=N3)NC4=NC(=NC=C4)C5=CC=CC(=N5)C
C27H31N9O2S
CC1CN(CC(N1)C)CCOC(=O)C2=CC(=CS2)NC3=NC=CC(=N3)NC4=NC(=NC=C4)C5=CC=CC(=N5)C
2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]ethyl 4-[[4-[[2-(6-methylpyridin-2-yl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]thiophene-2-carboxylate
2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]ethyl 4-[(4-{[2-(6-methylpyridin-2-yl)pyrimidin-4-yl]amino}pyrimidin-2-yl)amino]thiophene-2-carboxylate
null
null
null
InChI=1S/C19H21ClN6O2/c1-11-10-14(24-12(2)16(11)26-9-5-6-23-26)17(28-4)13(3)25-19(27)15-18(20)22-8-7-21-15/h5-10,13,17H,1-4H3,(H,25,27)
BNIHWNIQYLDFLX-UHFFFAOYSA-N
COC(C(C)NC(=O)C1=NC=CN=C1Cl)C1=CC(C)=C(N2C=CC=N2)C(C)=N1
C19H21ClN6O2
null
null
3-chloro-N-{1-[4,6-dimethyl-5-(1H-pyrazol-1-yl)pyridin-2-yl]-1-methoxypropan-2-yl}pyrazine-2-carboxamide
null
null
null
InChI=1S/C86H134N20O26S6/c1-8-45(6)69(105-72(117)51(27-30-138-7)93-70(115)49(23-25-67(111)112)92-79(124)59(38-133)90-66(110)36-88)84(129)103-62(41-136)81(126)98-56(34-47-19-21-48(108)22-20-47)76(121)102-60(39-134)80(125)99-57(35-65(89)109)77(122)97-55(33-46-15-10-9-11-16-46)75(120)100-58(37-107)78(123)91-50(24-26-68(11...
BNIIVDXDFSPAOA-WRCKTGHTSA-N
CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C...
C86H134N20O26S6
null
null
(2S)-6-amino-2-{[(2S)-1-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-4-carboxybutanamido]-4-(methylsulfanyl)butanamido]-3-methylpentanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-su...
null
null
null
InChI=1S/C16H11Cl2N3O/c17-12-7-6-11(8-13(12)18)19-16-20-14(9-15(22)21-16)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21,22)
BNIIXXCYBBWQST-UHFFFAOYSA-N
C1=CC=C(C=C1)C2=CC(=O)NC(=N2)NC3=CC(=C(C=C3)Cl)Cl
C16H11Cl2N3O
C1=CC=C(C=C1)C2=CC(=O)NC(=N2)NC3=CC(=C(C=C3)Cl)Cl
2-(3,4-dichloroanilino)-4-phenyl-1H-pyrimidin-6-one
2-[(3,4-dichlorophenyl)amino]-6-phenyl-1,4-dihydropyrimidin-4-one
{"alternativeParents":["CHEMONTID:0002564","CHEMONTID:0000284","CHEMONTID:0000291","CHEMONTID:0001262","CHEMONTID:0002202","CHEMONTID:0001030","CHEMONTID:0003890","CHEMONTID:0004144","CHEMONTID:0002451","CHEMONTID:0004139","CHEMONTID:0000323","CHEMONTID:0001516","CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"...
null
null
InChI=1S/C16H10BrF5N4/c17-12-6-10(2-3-11(12)15(18,19)16(20,21)22)7-13-14(8-23-9-24-13)26-5-1-4-25-26/h1-6,8-9H,7H2
BNILYRXZWYRJET-UHFFFAOYSA-N
FC(F)(F)C(F)(F)C1=C(Br)C=C(CC2=NC=NC=C2N2C=CC=N2)C=C1
C16H10BrF5N4
null
null
4-{[3-bromo-4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl}-5-(1H-pyrazol-1-yl)pyrimidine
null
null
null
InChI=1S/C21H24N2/c1-2-20(18-12-6-3-7-13-18)21(23-16-10-5-11-17-23)22-19-14-8-4-9-15-19/h2-4,6-9,12-15H,5,10-11,16-17H2,1H3/b20-2+,22-21-
BNIPAQBQBWXREA-ZPOWVIEISA-N
C\C=C(\C(=N\C1=CC=CC=C1)\N1CCCCC1)/C1=CC=CC=C1
C21H24N2
null
null
(1Z,2E)-N,2-diphenyl-1-(piperidin-1-yl)but-2-en-1-imine
null
null
null
InChI=1S/C27H24ClF2N3O3/c1-3-35-27(34)25-24(26(36-33-25)16-4-5-16)23(32-2)13-19(15-6-9-18(29)10-7-15)20(14-31)17-8-11-21(28)22(30)12-17/h6-12,16,19-20H,3-5,13H2,1-2H3
BNIPTSSLZVTBHF-UHFFFAOYSA-N
CCOC(=O)C1=NOC(C2CC2)=C1C(CC(C(C#N)C1=CC(F)=C(Cl)C=C1)C1=CC=C(F)C=C1)=NC
C27H24ClF2N3O3
null
null
ethyl 4-[4-(4-chloro-3-fluorophenyl)-4-cyano-3-(4-fluorophenyl)-1-(methylimino)butyl]-5-cyclopropyl-1,2-oxazole-3-carboxylate
null
null
null
InChI=1S/C14H7ClF2N4O2S/c15-11-2-10(24-21-11)12-9(1-7(6-22)3-18-12)23-14-19-4-8(5-20-14)13(16)17/h1-6,13H
BNIQBQRUBDPJMJ-UHFFFAOYSA-N
FC(F)C1=CN=C(OC2=C(N=CC(C=O)=C2)C2=CC(Cl)=NS2)N=C1
C14H7ClF2N4O2S
null
null
6-(3-chloro-1,2-thiazol-5-yl)-5-{[5-(difluoromethyl)pyrimidin-2-yl]oxy}pyridine-3-carbaldehyde
null
null
null
InChI=1S/C14H15N3O2/c1-9-13(18)16-12(14(19)15-9)8-10-4-6-11(7-5-10)17(2)3/h4-8H,1H2,2-3H3,(H,15,19)(H,16,18)
BNIRJNXVKBPDOW-UHFFFAOYSA-N
CN(C)C1=CC=C(C=C2NC(=O)C(=C)NC2=O)C=C1
C14H15N3O2
CN(C)C1=CC=C(C=C2NC(=O)C(=C)NC2=O)C=C1
null
3-{[4-(dimethylamino)phenyl]methylidene}-6-methylidenepiperazine-2,5-dione
null
null
null
InChI=1S/C24H23ClN8OS/c25-17-5-1-2-6-19(17)33-21-16(20(32-33)14-10-26-13-27-11-14)7-8-18-22(21)35-24(30-18)31-23(34)29-12-15-4-3-9-28-15/h1-2,5-6,10-11,13,15,28H,3-4,7-9,12H2,(H2,29,30,31,34)/t15-/m0/s1
BNIRQJGTYAFCCL-HNNXBMFYSA-N
ClC1=C(C=CC=C1)N1N=C(C2=C1C1=C(CC2)N=C(NC(=O)NC[C@@H]2CCCN2)S1)C1=CN=CN=C1
C24H23ClN8OS
C1CC(NC1)CNC(=O)NC2=NC3=C(S2)C4=C(CC3)C(=NN4C5=CC=CC=C5Cl)C6=CN=CN=C6
1-[1-(2-chlorophenyl)-3-pyrimidin-5-yl-4,5-dihydropyrazolo[4,3-g][1,3]benzothiazol-7-yl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea
3-[1-(2-chlorophenyl)-3-(pyrimidin-5-yl)-1H,4H,5H-[1,3]thiazolo[4,5-g]indazol-7-yl]-1-{[(2S)-pyrrolidin-2-yl]methyl}urea
{"intermediateNodes":[],"alternativeParents":["CHEMONTID:0001099","CHEMONTID:0000075","CHEMONTID:0001030","CHEMONTID:0000095","CHEMONTID:0000218","CHEMONTID:0004144","CHEMONTID:0000517","CHEMONTID:0002228","CHEMONTID:0004139","CHEMONTID:0001516","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"substituents...
{"wo":1,"us":1}
null
InChI=1S/C20H29F3N4O3/c1-11-7-8-14(20(21,22)23)25-15(11)26-16(28)13-9-12(10-24-13)19(5,6)27-17(29)30-18(2,3)4/h7-8,12-13,24H,9-10H2,1-6H3,(H,27,29)(H,25,26,28)/t12-,13-/m0/s1
BNIWNDBXWMYZTK-STQMWFEESA-N
CC1=C(N=C(C=C1)C(F)(F)F)NC(=O)[C@@H]2C[C@@H](CN2)C(C)(C)NC(=O)OC(C)(C)C
C20H29F3N4O3
CC1=C(N=C(C=C1)C(F)(F)F)NC(=O)C2CC(CN2)C(C)(C)NC(=O)OC(C)(C)C
tert-butyl N-[2-[(3S,5S)-5-[[3-methyl-6-(trifluoromethyl)pyridin-2-yl]carbamoyl]pyrrolidin-3-yl]propan-2-yl]carbamate
tert-butyl N-{2-[(3S,5S)-5-{[3-methyl-6-(trifluoromethyl)pyridin-2-yl]carbamoyl}pyrrolidin-3-yl]propan-2-yl}carbamate
null
null
null
InChI=1S/C30H42FNOS2/c1-8-11-27(20-23(9-2)10-3)35-29(18-19-34-26-17-12-22(4)28(31)21-26)32-24-13-15-25(16-14-24)33-30(5,6)7/h12-19,21,23,27H,8-11,20H2,1-7H3/b19-18+,32-29?
BNIWVFWLNBFIPF-GAMBAMRWSA-N
CCCC(CC(CC)CC)SC(\C=C\SC1=CC(F)=C(C)C=C1)=NC1=CC=C(OC(C)(C)C)C=C1
C30H42FNOS2
null
null
(2E)-N-[4-(tert-butoxy)phenyl]-1-[(6-ethyloctan-4-yl)sulfanyl]-3-[(3-fluoro-4-methylphenyl)sulfanyl]prop-2-en-1-imine
null
null
null
InChI=1S/C44H26N2S/c1-2-12-27(13-3-1)43-45-38-21-11-20-36-41(38)46(43)39-22-8-7-19-35(39)44(36)34-18-6-4-14-30(34)31-25-24-28(26-37(31)44)29-16-10-17-33-32-15-5-9-23-40(32)47-42(29)33/h1-26H
BNIXKCFUFAOHMY-UHFFFAOYSA-N
C1=CC=C(C=C1)C2=NC3=CC=CC4=C3N2C5=CC=CC=C5C46C7=CC=CC=C7C8=C6C=C(C=C8)C9=CC=CC1=C9SC2=CC=CC=C12
C44H26N2S
C1=CC=C(C=C1)C2=NC3=CC=CC4=C3N2C5=CC=CC=C5C46C7=CC=CC=C7C8=C6C=C(C=C8)C9=CC=CC1=C9SC2=CC=CC=C12
2'-dibenzothiophen-4-yl-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
15'-phenyl-2-{8-thiatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-6-yl}-1',14'-diazaspiro[fluorene-9,8'-tetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadecane]-2',4',6',9',11',13'(16'),14'-heptaene
null
null
null
InChI=1S/C24H28F4N6O3S2/c1-24(2)9-15(35)19(16(36)10-24)22(39)31(3)23-29-17(12-37-23)32-4-6-33(7-5-32)18(38)11-34-14(21(27)28)8-13(30-34)20(25)26/h8,12,19-21H,4-7,9-11H2,1-3H3
BNJAJVQYPSIFNU-UHFFFAOYSA-N
CN(C(=S)C1C(=O)CC(C)(C)CC1=O)C1=NC(=CO1)N1CCN(CC1)C(=S)CN1N=C(C=C1C(F)F)C(F)F
C24H28F4N6O3S2
null
null
N-[4-(4-{2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]ethanethioyl}piperazin-1-yl)-1,3-oxazol-2-yl]-N,4,4-trimethyl-2,6-dioxocyclohexane-1-carbothioamide
null
null
null
InChI=1S/C18H16F7NO/c1-9(2)13-8-26-7-10(3)16(13)17(21,22)6-12-14(19)4-11(5-15(12)20)27-18(23,24)25/h4-5,7-9H,6H2,1-3H3
BNJAUVKSHBYVSA-UHFFFAOYSA-N
CC(C)C1=CN=CC(C)=C1C(F)(F)CC1=C(F)C=C(OC(F)(F)F)C=C1F
C18H16F7NO
null
null
4-{2-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-1,1-difluoroethyl}-3-methyl-5-(propan-2-yl)pyridine
null
null
null
InChI=1S/C9H10N6OS2/c1-4-3-5(18-15-4)11-8-6(7(10)16)13-14-9(12-8)17-2/h3H,1-2H3,(H2,10,16)(H,11,12,14)
BNJGRWBSKFHRBG-UHFFFAOYSA-N
CC1=NSC(=C1)NC2=C(N=NC(=N2)SC)C(=O)N
C9H10N6OS2
CC1=NSC(=C1)NC2=C(N=NC(=N2)SC)C(=O)N
3-methylsulfanyl-5-[(3-methyl-1,2-thiazol-5-yl)amino]-1,2,4-triazine-6-carboxamide
5-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(methylsulfanyl)-1,2,4-triazine-6-carboxamide
null
{"wo":1,"us":1}
null
InChI=1S/C20H16O5/c1-10(21)20(25)8-15-17(16(22)9-20)19(24)14-7-12-5-3-2-4-11(12)6-13(14)18(15)23/h2-7,16,22,25H,8-9H2,1H3/t16-,20-/m1/s1
BNJLYXNZIBIYCX-OXQOHEQNSA-N
CC(=O)[C@@]1(C[C@H](C2=C(C1)C(=O)C3=CC4=CC=CC=C4C=C3C2=O)O)O
C20H16O5
CC(=O)C1(CC(C2=C(C1)C(=O)C3=CC4=CC=CC=C4C=C3C2=O)O)O
(1R,3R)-3-acetyl-1,3-dihydroxy-2,4-dihydro-1H-tetracene-5,12-dione
(1R,3R)-3-acetyl-1,3-dihydroxy-1,2,3,4,5,12-hexahydrotetracene-5,12-dione
{"alternativeParents":["CHEMONTID:0001598","CHEMONTID:0000023","CHEMONTID:0002495","CHEMONTID:0003670","CHEMONTID:0001670","CHEMONTID:0002912","CHEMONTID:0001661","CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"CHEMONTID:0000155","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aromat...
{"ep":2,"us":5}
null
InChI=1S/C16H22O6/c1-11-4-6-16(7-5-11)21-19-15(20-22-16)12-8-13(17-2)10-14(9-12)18-3/h8-11,15H,4-7H2,1-3H3
BNJRUMSGAHVUGX-UHFFFAOYSA-N
COC1=CC(=CC(OC)=C1)C1OOC2(CCC(C)CC2)OO1
C16H22O6
COC1=CC(=CC(OC)=C1)C1OOC2(CCC(C)CC2)OO1
null
3-(3,5-dimethoxyphenyl)-9-methyl-1,2,4,5-tetraoxaspiro[5.5]undecane
null
null
null
InChI=1S/C55H87N15O16/c1-7-28(5)44(69-50(81)37(17-21-42(73)74)65-48(79)35(15-19-40(57)71)63-46(77)32(56)25-30-26-62-33-13-10-9-12-31(30)33)52(83)66-34(14-11-23-61-55(59)60)47(78)64-36(16-20-41(58)72)49(80)70-45(29(6)8-2)53(84)68-39(24-27(3)4)51(82)67-38(54(85)86)18-22-43(75)76/h9-10,12-13,26-29,32,34-39,44-45,62H,7-8,1...
BNJSHSGRVKJWEI-AXRPJXROSA-N
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
C55H87N15O16
null
null
(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]-3-methylpentanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-methylpentanamido]-4-methylpentanamido]pentanedioic acid
null
null
null
InChI=1S/C16H12F6N4/c1-7-4-3-5-8(2)12(7)26-14(23)11-9(25-26)6-10(15(17,18)19)24-13(11)16(20,21)22/h3-6H,23H2,1-2H3
BNJXIYZTYYZEER-UHFFFAOYSA-N
CC1=CC=CC(C)=C1N1N=C2C=C(N=C(C2=C1N)C(F)(F)F)C(F)(F)F
C16H12F6N4
CC1=C(C(=CC=C1)C)N2C(=C3C(=N2)C=C(N=C3C(F)(F)F)C(F)(F)F)N
2-(2,6-dimethylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
2-(2,6-dimethylphenyl)-4,6-bis(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridin-3-amine
{"alternativeParents":["CHEMONTID:0004209","CHEMONTID:0000089","CHEMONTID:0004144","CHEMONTID:0004139","CHEMONTID:0002450","CHEMONTID:0001517","CHEMONTID:0004150","CHEMONTID:0001027"],"directParent":"CHEMONTID:0002019","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aromatic heteropolycyclic ...
{"wo":2}
null
InChI=1S/C25H21ClFNO3/c1-30-22-11-7-17(8-12-22)23(24(16-28)18-5-9-20(26)10-6-18)13-14-31-25(29)19-3-2-4-21(27)15-19/h2-12,15,23-24H,13-14H2,1H3/t23-,24-/m0/s1
BNJYLRMVLIWPII-ZEQRLZLVSA-N
COC1=CC=C(C=C1)[C@H](CCOC(=O)C1=CC(F)=CC=C1)[C@@H](C#N)C1=CC=C(Cl)C=C1
C25H21ClFNO3
null
null
(3R,4R)-4-(4-chlorophenyl)-4-cyano-3-(4-methoxyphenyl)butyl 3-fluorobenzoate
null
null
null
InChI=1S/C20H20BrClO5/c1-13-4-6-16(11-18(13)27-19(12-24-2)20(23)25-3)26-9-8-14-10-15(21)5-7-17(14)22/h4-7,10-12H,8-9H2,1-3H3
BNJYVUNWJAPNAS-UHFFFAOYSA-N
COC=C(OC1=CC(OCCC2=C(Cl)C=CC(Br)=C2)=CC=C1C)C(=O)OC
C20H20BrClO5
null
null
methyl 2-{5-[2-(5-bromo-2-chlorophenyl)ethoxy]-2-methylphenoxy}-3-methoxyprop-2-enoate
null
null
null
InChI=1S/C12H11Br2NO4/c1-18-11(16)6-10(12(17)19-2)15-9-5-7(13)3-4-8(9)14/h3-6,15H,1-2H3/b10-6+
BNJZXUVOFLTZCJ-UXBLZVDNSA-N
COC(=O)/C=C(\C(=O)OC)/NC1=C(C=CC(=C1)Br)Br
C12H11Br2NO4
COC(=O)C=C(C(=O)OC)NC1=C(C=CC(=C1)Br)Br
dimethyl (E)-2-(2,5-dibromoanilino)but-2-enedioate
1,4-dimethyl (2E)-2-[(2,5-dibromophenyl)amino]but-2-enedioate
null
null
null
InChI=1S/C18H16ClFN2O2/c1-10-6-12(9-22-11(10)2)15(8-21)14(7-17(23)24)13-4-3-5-16(19)18(13)20/h3-6,9,14-15H,7H2,1-2H3,(H,23,24)/t14-,15+/m0/s1
BNKCOUPODJZXHU-LSDHHAIUSA-N
CC1=CC(=CN=C1C)[C@@H](C#N)[C@@H](CC(O)=O)C1=C(F)C(Cl)=CC=C1
C18H16ClFN2O2
null
null
(3R,4S)-3-(3-chloro-2-fluorophenyl)-4-cyano-4-(5,6-dimethylpyridin-3-yl)butanoic acid
null
null
null
InChI=1S/C16H9F3N6O5/c17-16(18,19)15-22-14(24-30-15)11-2-1-10(7-21-11)13(9-3-5-20-6-4-9)23-29-12(26)8-25(27)28/h1-7H,8H2
BNKLVMIZWGCVRZ-UHFFFAOYSA-N
FC(F)(F)C1=NC(=NO1)C1=NC=C(C=C1)C(=NOC(=O)C[N](=O)=O)C1=CC=NC=C1
C16H9F3N6O5
null
null
[(pyridin-4-yl)({6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-3-yl})methylidene]amino 2-nitroacetate
null
null
null
InChI=1S/C34H61IO4SSi2/c1-23(21-35)28-15-16-29-24(14-13-17-34(28,29)8)18-31-26-19-25(38-41(9,10)32(2,3)4)20-30(27(26)22-40(31,36)37)39-42(11,12)33(5,6)7/h18,23,25,27-30H,13-17,19-22H2,1-12H3/b24-18+/t23-,25-,27?,28-,29+,30+,34-/m1/s1
BNKQCFHIJUEKPG-MFGRGYDZSA-N
[H]C12C[S](=O)(=O)C(\C=C3/CCC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CI)=C1C[C@H](C[C@@H]2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
C34H61IO4SSi2
null
null
(5R,7S)-3-{[(1R,3aS,4E,7aR)-1-[(2S)-1-iodopropan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]methyl}-5,7-bis[(tert-butyldimethylsilyl)oxy]-1,4,5,6,7,7a-hexahydro-2λ⁶-benzothiophene-2,2-dione
null
null
null
InChI=1S/C4H8O2.Li/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);
BNKRIBCJVUPOGQ-UHFFFAOYSA-N
[Li].CC(C)C(=O)O
C4H8LiO2
[Li].CC(C)C(=O)O
null
2-methylpropanoic acid lithium
null
{"ep":1,"uy":1,"wo":1}
null
InChI=1S/C29H42O3Si/c1-9-12-19-23-26(11-3)31-28(30)25-21-18-16-14-15-17-20-24-27(22-13-10-2)32-33(7,8)29(4,5)6/h2,20,24,26-27H,11,14-18,21,25H2,1,3-8H3/b24-20-/t26-,27+/m0/s1
BNKSMSYSTDWQHC-WITWPIHNSA-N
CC[C@H](OC(=O)CCCCCCC\C=C/[C@H](O[Si](C)(C)C(C)(C)C)C#CC#C)C#CC#CC
C29H42O3Si
CCC(C#CC#CC)OC(=O)CCCCCCCC=CC(C#CC#C)O[Si](C)(C)C(C)(C)C
[(3S)-octa-4,6-diyn-3-yl] (Z,11S)-11-[tert-butyl(dimethyl)silyl]oxypentadec-9-en-12,14-diynoate
(3S)-octa-4,6-diyn-3-yl (9Z,11S)-11-[(tert-butyldimethylsilyl)oxy]pentadec-9-en-12,14-diynoate
null
null
null
InChI=1S/C24H29ClN2O4/c1-6-10-15-11-9-12-16-17(15)13-14(4)21(25)19(16)20-22(31-18(28)7-2)23(30-5)26-27(8-3)24(20)29/h9,11-12,14H,6-8,10,13H2,1-5H3
BNKSNKIHVUVHHU-UHFFFAOYSA-N
CCCC1=C2CC(C)C(Cl)=C(C2=CC=C1)C1=C(OC(=O)CC)C(OC)=NN(CC)C1=O
C24H29ClN2O4
null
null
5-(2-chloro-3-methyl-5-propyl-3,4-dihydronaphthalen-1-yl)-1-ethyl-3-methoxy-6-oxo-1,6-dihydropyridazin-4-yl propanoate
null
null
null
InChI=1S/C27H23N3O/c1-30(2)25-10-11-26-22(17-25)8-9-23(27(26)31-3)16-24(18-28)20-6-4-19(5-7-20)21-12-14-29-15-13-21/h4-17H,1-3H3
BNKUFFFMNGXFAS-UHFFFAOYSA-N
COC1=C(C=C(C#N)C2=CC=C(C=C2)C2=CC=NC=C2)C=CC2=C1C=CC(=C2)N(C)C
C27H23N3O
null
null
3-[6-(dimethylamino)-1-methoxynaphthalen-2-yl]-2-[4-(pyridin-4-yl)phenyl]prop-2-enenitrile
null
null
null
InChI=1S/C34H20N2/c1-5-21-12-13-22-6-2-9-29-31-15-14-26(25-17-24(19-36-20-25)23-7-4-16-35-18-23)27-10-3-11-30(34(27)31)28(8-1)32(21)33(22)29/h1-20H
BNKUOTJDVKNLID-UHFFFAOYSA-N
C1=CC(=CN=C1)C1=CC(=CN=C1)C1=CC=C2C3=CC=CC4=CC=C5C=CC=C(C6=CC=CC1=C26)C5=C34
C34H20N2
null
null
5-{hexacyclo[10.9.2.1¹³,¹⁷.0⁵,²².0⁸,²³.0²¹,²⁴]tetracosa-1,3,5,7,9,11,13,15,17(24),18,20,22-dodecaen-16-yl}-3,3'-bipyridine
null
null
null
InChI=1S/C22H16O7/c1-2-27-21(26)17-16(11-7-8-14-15(9-11)29-10-28-14)22(17)19(24)13-6-4-3-5-12(13)18(23)20(22)25/h3-9,16-17H,2,10H2,1H3/t16-,17+,22?/m0/s1
BNKXJJRVCXAZMW-SUKIVIJGSA-N
CCOC(=O)[C@H]1[C@H](C2=CC=C3OCOC3=C2)C11C(=O)C(=O)C2=CC=CC=C2C1=O
C22H16O7
CCOC(=O)C1C(C2=CC=C3OCOC3=C2)C11C(=O)C(=O)C2=CC=CC=C2C1=O
null
ethyl (2R,3S)-2-(2H-1,3-benzodioxol-5-yl)-1',3',4'-trioxo-3',4'-dihydro-1'H-spiro[cyclopropane-1,2'-naphthalene]-3-carboxylate
null
null
null
InChI=1S/C29H40F3N3O5/c1-5-21(18-33-23-14-13-22(17-25(23)39-4)40-15-9-12-26(36)37)34-28(38)24(16-19(2)3)35-27(29(30,31)32)20-10-7-6-8-11-20/h6-8,10-11,13-14,17,19,21,24,27,33,35H,5,9,12,15-16,18H2,1-4H3,(H,34,38)(H,36,37)/t21-,24-,27-/m0/s1
BNLDCLADAZYGAP-DDZLNHKNSA-N
CC[C@@H](CNC1=C(C=C(C=C1)OCCCC(=O)O)OC)NC(=O)[C@H](CC(C)C)N[C@@H](C2=CC=CC=C2)C(F)(F)F
C29H40F3N3O5
CCC(CNC1=C(C=C(C=C1)OCCCC(=O)O)OC)NC(=O)C(CC(C)C)NC(C2=CC=CC=C2)C(F)(F)F
4-[3-methoxy-4-[[(2S)-2-[[(2S)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]pentanoyl]amino]butyl]amino]phenoxy]butanoic acid
4-(3-methoxy-4-{[(2S)-2-[(2S)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-phenylethyl]amino}pentanamido]butyl]amino}phenoxy)butanoic acid
{"alternativeParents":["CHEMONTID:0002309","CHEMONTID:0004670","CHEMONTID:0003999","CHEMONTID:0000138","CHEMONTID:0003924","CHEMONTID:0004113","CHEMONTID:0004742","CHEMONTID:0000128","CHEMONTID:0002458","CHEMONTID:0001096","CHEMONTID:0001663","CHEMONTID:0004176","CHEMONTID:0001137","CHEMONTID:0002228","CHEMONTID:000120...
{"us":1}
null
InChI=1S/C18H24O2/c1-2-11-16-13-14-18(20)17(16)12-9-7-5-3-4-6-8-10-15-19/h2-4,7,9,12-14,16,19H,1,5-6,8,10-11,15H2/b4-3-,9-7+,17-12+/t16-/m0/s1
BNLDNNRYOKDGNH-WUMADZDPSA-N
C=CC[C@H]\1C=CC(=O)/C1=C/C=C/C/C=C\CCCCO
C18H24O2
C=CCC1C=CC(=O)C1=CC=CCC=CCCCCO
(4S,5E)-5-[(2E,5Z)-10-hydroxydeca-2,5-dienylidene]-4-prop-2-enylcyclopent-2-en-1-one
(4S,5E)-5-[(2E,5Z)-10-hydroxydeca-2,5-dien-1-ylidene]-4-(prop-2-en-1-yl)cyclopent-2-en-1-one
null
null
null
InChI=1S/C17H13F5IN7O4/c1-8-4-3-5-11(30-16(31)29(2)27-28-30)9(8)7-32-15(33-17(20,21)22)26-25-12(14(18)19)13-10(23)6-24-34-13/h3-6,14H,7H2,1-2H3
BNLHPCBGTMMSSJ-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(COC(OC(F)(F)F)=NN=C(C(F)F)C2=C(I)C=NO2)C(C)=CC=C1
C17H13F5IN7O4
null
null
1-{2-[({2-[2,2-difluoro-1-(4-iodo-1,2-oxazol-5-yl)ethylidene]hydrazin-1-ylidene}(trifluoromethoxy)methoxy)methyl]-3-methylphenyl}-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C22H21N3O9/c1-9-19(32-10(2)26)20(33-11(3)27)21(34-12(4)28)22(31-9)25-16-15(23-24-25)17(29)13-7-5-6-8-14(13)18(16)30/h5-9,19-22H,1-4H3/t9-,19+,20+,21-,22-/m0/s1
BNLMAHDJZLZKLL-ABHFJQOFSA-N
C[C@@H]1O[C@@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)N1N=NC2=C1C(=O)C1=CC=CC=C1C2=O
C22H21N3O9
CC1OC(C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)N1N=NC2=C1C(=O)C1=CC=CC=C1C2=O
null
(2S,3S,4R,5R,6S)-4,5-bis(acetyloxy)-2-{4,9-dioxo-1H,4H,9H-naphtho[2,3-d][1,2,3]triazol-1-yl}-6-methyloxan-3-yl acetate
null
null
null
InChI=1S/C21H20Cl2N2O4S/c1-5-15-19(29-21(27)28-3)18(20(26)25(6-2)24-15)17-13-9-11(22)10-14(23)12(13)7-8-16(17)30-4/h7-10H,5-6H2,1-4H3
BNLNEDMRBVMYDF-UHFFFAOYSA-N
CCN1N=C(CC)C(OC(=O)OC)=C(C1=O)C1=C(SC)C=CC2=C1C=C(Cl)C=C2Cl
C21H20Cl2N2O4S
null
null
5-[5,7-dichloro-2-(methylsulfanyl)naphthalen-1-yl]-1,3-diethyl-6-oxo-1,6-dihydropyridazin-4-yl methyl carbonate
null
null
null
InChI=1S/C34H32N6S.Cu/c1-7-19-17(5)25-13-29-21(9-3)22(10-4)30(37-29)14-26-18(6)20(8-2)28(36-26)16-32-33-23(31(38-32)15-27(19)35-25)11-12-24-34(33)40-41-39-24;/h11-16H,7-10H2,1-6H3;/q-2;+2
BNLOZURSRVTJQO-UHFFFAOYSA-N
CCC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C6=C(C=CC7=NSN=C76)C(=CC1=N2)[N-]5)CC)C)CC)CC)C.[Cu+2]
C34H32CuN6S
CCC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C6=C(C=CC7=NSN=C76)C(=CC1=N2)[N-]5)CC)C)CC)CC)C.[Cu+2]
copper 4,9,10,15-tetraethyl-5,14-dimethyl-22-thia-21,23,29,31-tetraza-28,30-diazanidaheptacyclo[16.9.1.13,6.18,11.113,16.019,27.020,24]hentriaconta-1,3(31),4,6,8,10,12,14,16(29),17,19(27),20,23,25-tetradecaene
copper(2+) 4,9,10,15-tetraethyl-5,14-dimethyl-22-thia-21,23,28,29,30,31-hexaazaheptacyclo[16.9.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶.0¹⁹,²⁷.0²⁰,²⁴]hentriaconta-1(27),2,4,6,8(30),9,11,13(29),14,16,18,20,23,25-tetradecaene-28,31-diide
{"alternativeParents":["CHEMONTID:0000127","CHEMONTID:0002323","CHEMONTID:0002257","CHEMONTID:0002448","CHEMONTID:0000093","CHEMONTID:0004144","CHEMONTID:0004139","CHEMONTID:0000278","CHEMONTID:0003610","CHEMONTID:0004018","CHEMONTID:0004150"],"directParent":"CHEMONTID:0000212","intermediateNodes":[],"kingdom":"CHEMONT...
null
null
InChI=1S/C23H19NO6S.K/c1-10(25)14-7-12(8-16-13-5-3-4-6-18(13)31(30)21(14)16)15-9-17-19(11(2)26)22(27)24(17)20(15)23(28)29;/h3-8,11,17,19,26H,9H2,1-2H3,(H,28,29);/t11-,17-,19-,31?;/m1./s1
BNLQGZKUJDSEKR-HVWAESDVSA-N
[K].[H][C@]12CC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)C1=CC(C(C)=O)=C2C(=C1)C1=CC=CC=C1[S]2=O
C23H19KNO6S
null
null
(5R,6S)-3-{6-acetyl-8-oxo-8λ⁴-thiatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-4-yl}-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid potassium
null
null
null
InChI=1S/C33H45FN6O/c1-24(41)20-40-16-8-14-30(38-32(36-23-35)37-29-13-6-11-27(19-29)33(2,3)4)31(40)22-39-15-7-10-26(21-39)17-25-9-5-12-28(34)18-25/h5-6,9,11-13,18-19,26,30-31H,7-8,10,14-17,20-22H2,1-4H3,(H2,36,37,38)
BNLQSCBZNHSWOC-UHFFFAOYSA-N
CC(=O)CN1CCCC(N=C(NC#N)NC2=CC(=CC=C2)C(C)(C)C)C1CN1CCCC(CC2=CC(F)=CC=C2)C1
C33H45FN6O
null
null
N-(3-tert-butylphenyl)-N'-cyano-N''-[2-({3-[(3-fluorophenyl)methyl]piperidin-1-yl}methyl)-1-(2-oxopropyl)piperidin-3-yl]guanidine
null
null
null
InChI=1S/C64H92N18O9/c1-3-39(2)54(81-61(89)50(33-41-20-8-5-9-21-41)78-59(87)51(34-42-36-73-46-24-11-10-22-44(42)46)77-56(84)45(67)23-16-30-72-64(69)70)62(90)80-49(32-40-18-6-4-7-19-40)58(86)79-52(35-43-37-71-38-74-43)60(88)75-47(25-12-14-28-65)57(85)76-48(26-13-15-29-66)63(91)82-31-17-27-53(82)55(68)83/h4-11,18-22,24,3...
BNLQZAQEXGEVPA-ZFSSCWILSA-N
CC[C@H](C)[C@H](N=C(O)[C@@H](CC1=CC=CC=C1)N=C(O)[C@@H](CC1=CNC2=CC=CC=C12)N=C(O)[C@@H](N)CCCNC(N)=N)C(O)=N[C@H](CC1=CC=CC=C1)C(O)=N[C@@H](CC1=CN=CN1)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(O)=N
C64H92N18O9
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@H](Cc4ccccc4)C(=O)N[C@@H](Cc5c[nH]cn5)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N6CCC[C@H]6C(=O)N
(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]pyrr...
null
{"alternativeparents":["CHEMONTID:0004321","CHEMONTID:0004311","CHEMONTID:0004330","CHEMONTID:0004322","CHEMONTID:0001189","CHEMONTID:0000183","CHEMONTID:0002309","CHEMONTID:0004196","CHEMONTID:0000188","CHEMONTID:0002256","CHEMONTID:0003023","CHEMONTID:0002257","CHEMONTID:0001096","CHEMONTID:0000078","CHEMONTID:000414...
null
null
InChI=1S/C22H37NO2/c1-6-8-9-10-11-12-13-14-15-16-21-19(4)23-18(3)20(7-2)22(21)25-17-24-5/h11-12H,6-10,13-17H2,1-5H3
BNLVIPOKLABMOP-UHFFFAOYSA-N
CCCCCC=CCCCCC1=C(C)N=C(C)C(CC)=C1OCOC
C22H37NO2
null
null
3-ethyl-4-(methoxymethoxy)-2,6-dimethyl-5-(undec-5-en-1-yl)pyridine
null
null
null
InChI=1S/C23H27F5O3/c24-19-12-18(13-20(25)21(19)26)31-23(27,28)17-8-6-15(7-9-17)14-2-4-16(5-3-14)22-29-10-1-11-30-22/h8,12-16,22H,1-7,9-11H2/t14-,15?,16-
BNMDVKAXFJNQEX-CMTYHBQSSA-N
[H]C1(CCC(=CC1)C(F)(F)OC1=CC(F)=C(F)C(F)=C1)[C@H]1CC[C@@H](CC1)C1OCCCO1
C23H27F5O3
null
null
2-[(1r,4r)-4-{4-[difluoro(3,4,5-trifluorophenoxy)methyl]cyclohex-3-en-1-yl}cyclohexyl]-1,3-dioxane
null
null
null
InChI=1S/C28H27N3O3S2/c1-29-23-13-6-7-14-24(23)30(2)27(29)19-22(21-11-4-3-5-12-21)20-28-31(17-10-18-36(32,33)34)25-15-8-9-16-26(25)35-28/h3-9,11-16,19-20H,10,17-18H2,1-2H3
BNMGVKAZXCFSND-UHFFFAOYSA-N
CN1C(=CC(=CC2=[N+](CCC[S]([O-])(=O)=O)C3=CC=CC=C3S2)C2=CC=CC=C2)N(C)C2=CC=CC=C12
C28H27N3O3S2
CN1C(=CC(=CC2=[N+](CCCS([O-])(=O)=O)C3=CC=CC=C3S2)C2=CC=CC=C2)N(C)C2=CC=CC=C12
null
2-[3-(1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-phenylprop-1-en-1-yl]-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium
null
null
null
InChI=1S/C26H23ClN2O5/c1-3-32-17-24(26(30)31-2)29-23-14-18(12-13-22(23)25(27)28-29)16-33-20-10-7-11-21(15-20)34-19-8-5-4-6-9-19/h4-15,17H,3,16H2,1-2H3/b24-17+
BNMIJJNUPXGOJI-JJIBRWJFSA-N
CCO\C=C(\N1N=C(Cl)C2=CC=C(COC3=CC(OC4=CC=CC=C4)=CC=C3)C=C12)C(=O)OC
C26H23ClN2O5
null
null
methyl (2E)-2-{3-chloro-6-[(3-phenoxyphenoxy)methyl]-1H-indazol-1-yl}-3-ethoxyprop-2-enoate
null
null
null
InChI=1S/C29H22FNO3S/c1-18-25-27(33)23(26(32)19-8-4-3-5-9-19)17-31(16-21-10-6-7-11-24(21)30)29(25)35-28(18)20-12-14-22(34-2)15-13-20/h3-15,17H,16H2,1-2H3
BNMMKWXRYAXRQN-UHFFFAOYSA-N
COC1=CC=C(C=C1)C1=C(C)C2=C(S1)N(CC1=C(F)C=CC=C1)C=C(C(=O)C1=CC=CC=C1)C2=O
C29H22FNO3S
null
null
5-benzoyl-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-methyl-4H,7H-thieno[2,3-b]pyridin-4-one
null
null
null
InChI=1S/C24H23Cl2N3OS/c1-13-7-10-20(30-13)23(15-5-4-6-15)29-19-12-27-14(2)21(22(19)28-24(29)31-3)17-9-8-16(25)11-18(17)26/h7-12,15,23H,4-6H2,1-3H3
BNMNUWMMLFEYFF-UHFFFAOYSA-N
CSC1=NC2=C(C(C)=NC=C2N1C(C1CCC1)C1=CC=C(C)O1)C1=C(Cl)C=C(Cl)C=C1
C24H23Cl2N3OS
null
null
3-[cyclobutyl(5-methylfuran-2-yl)methyl]-7-(2,4-dichlorophenyl)-6-methyl-2-(methylsulfanyl)-3H-imidazo[4,5-c]pyridine
null
null
null
InChI=1S/C43H30N4O/c1-43(2)34-22-9-8-20-33(34)38-30(21-13-23-35(38)43)28-16-12-17-29(26-28)40-45-39(27-14-4-3-5-15-27)46-41(47-40)31-18-6-7-19-32(31)42-44-36-24-10-11-25-37(36)48-42/h3-26H,1-2H3
BNMQZFGWRMFPGL-UHFFFAOYSA-N
CC1(C)C2=CC=CC=C2C2=C(C=CC=C12)C1=CC(=CC=C1)C1=NC(=NC(=N1)C1=C(C=CC=C1)C1=NC2=CC=CC=C2O1)C1=CC=CC=C1
C43H30N4O
CC1(C)C2=CC=CC=C2C2=C(C=CC=C12)C1=CC(=CC=C1)C1=NC(=NC(=N1)C1=C(C=CC=C1)C1=NC2=CC=CC=C2O1)C1=CC=CC=C1
null
2-(2-{4-[3-(9,9-dimethyl-9H-fluoren-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl}phenyl)-1,3-benzoxazole
null
null
null
InChI=1S/C28H30ClNOS/c1-27(2,3)21-14-17(15-22(25(21)31)28(4,5)6)24(23-12-9-13-32-23)20-16-30-26(29)19-11-8-7-10-18(19)20/h7-16,24,31H,1-6H3
BNMSBQJQHMYGQL-UHFFFAOYSA-N
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C1=CC=CS1)C1=CN=C(Cl)C2=C1C=CC=C2
C28H30ClNOS
null
null
2,6-di-tert-butyl-4-[(1-chloroisoquinolin-4-yl)(thiophen-2-yl)methyl]phenol
null
null
null
InChI=1S/C16H15ClN2/c1-11-10-18-15-8-7-13(17)9-14(15)16(19-11)12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3/i1D,10D2,11D
BNMTUNXXSKQZNB-PWLSGFOZSA-N
[2H]CC1(C(NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)([2H])[2H])[2H]
C16H15ClN2
CC1CNC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
7-chloro-2,2,3-trideuterio-3-(deuteriomethyl)-5-phenyl-1H-1,4-benzodiazepine
7-chloro-3-(²H₁)methyl-5-phenyl-2,3-dihydro(2,2,3-²H₃)-1H-1,4-benzodiazepine
{"alternativeParents":["CHEMONTID:0002458","CHEMONTID:0002279","CHEMONTID:0001030","CHEMONTID:0001673","CHEMONTID:0003633","CHEMONTID:0004139","CHEMONTID:0001516","CHEMONTID:0004150"],"directParent":"CHEMONTID:0004097","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aromatic heteropolycyclic ...
null
null
InChI=1S/C22H16F8N4O2/c23-20(24,25)10-33-19(36)32-9-13-7-15(5-4-12(13)8-31)34-18(35)17-16(21(17,26)27)11-2-1-3-14(6-11)22(28,29)30/h1-7,16-17H,9-10H2,(H,34,35)(H2,32,33,36)
BNMTXCYSUOQDJV-UHFFFAOYSA-N
FC(F)(F)CNC(=O)NCC1=C(C=CC(NC(=O)C2C(C3=CC(=CC=C3)C(F)(F)F)C2(F)F)=C1)C#N
C22H16F8N4O2
null
null
N-[4-cyano-3-({[(2,2,2-trifluoroethyl)carbamoyl]amino}methyl)phenyl]-2,2-difluoro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
null
null
null
InChI=1S/C53H34N6/c1-4-16-36(17-5-1)49-44-24-10-13-25-46(44)54-53(55-49)43-33-32-40(59-47-26-14-11-22-41(47)42-23-12-15-27-48(42)59)34-45(43)35-28-30-39(31-29-35)52-57-50(37-18-6-2-7-19-37)56-51(58-52)38-20-8-3-9-21-38/h1-34H
BNMVLJBBYIUGNL-UHFFFAOYSA-N
C1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=C(C=CC(=C1)N1C2=CC=CC=C2C2=CC=CC=C12)C1=NC2=C(C=CC=C2)C(=N1)C1=CC=CC=C1
C53H34N6
C1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=C(C=CC(=C1)N1C2=CC=CC=C2C2=CC=CC=C12)C1=NC2=C(C=CC=C2)C(=N1)C1=CC=CC=C1
null
9-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(4-phenylquinazolin-2-yl)-[1,1'-biphenyl]-3-yl]-9H-carbazole
null
null
null
InChI=1S/C12H18O2/c1-2-4-10-8-7-9-5-3-6-11(13)12(9)14-10/h10H,2-8H2,1H3
BNMWOPVNPSRVTB-UHFFFAOYSA-N
CCCC1CCC2=C(O1)C(=O)CCC2
C12H18O2
CCCC1CCC2=C(O1)C(=O)CCC2
2-propyl-2,3,4,5,6,7-hexahydrochromen-8-one
2-propyl-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-8-one
{"alternativeParents":["CHEMONTID:0004325","CHEMONTID:0004140","CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"CHEMONTID:0000123","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aliphatic heteropolycyclic compounds","substituents":["Benzopyran","Cyclohexenone","Ketone","Oxacycle","Or...
null
null
InChI=1S/C27H41NO3/c1-6-13-26(2,3)18-15-22(29)24-20-14-17(25(30)28-19-9-7-8-10-19)11-12-21(20)27(4,5)31-23(24)16-18/h15-17,19-21,29H,6-14H2,1-5H3,(H,28,30)/t17-,20-,21-/m1/s1/i2D/t17-,20-,21-,26?
BNMWWJYBOWEZER-RLYSRIGKSA-N
[H][C@@]12C[C@@H](CC[C@@]1([H])C(C)(C)OC1=CC(=CC(O)=C21)C(C)(C[2H])CCC)C(=O)NC1CCCC1
C27H41NO3
null
null
(6aR,9R,10aR)-N-cyclopentyl-1-hydroxy-6,6-dimethyl-3-[2-methyl(1-²H₁)pentan-2-yl]-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromene-9-carboxamide
null
null
null
InChI=1S/C62H42N4O12.C4H6N2.Fe.O2/c67-59-39-33-41-42-34-40(39)60(68)76-30-26-72-52-14-6-2-10-36(52)56-44-18-17-43(63-44)55(35-9-1-5-13-51(35)71-25-29-75-59)47-21-22-48(65-47)57(37-11-3-7-15-53(37)73-27-31-77-61(41)69)45-19-20-46(64-45)58(50-24-23-49(56)66-50)38-12-4-8-16-54(38)74-28-32-78-62(42)70;1-6-3-2-5-4-6;;1-2/h1...
BNNAEPZDHZPPLU-UHFFFAOYSA-N
CN1C=C[N](=C1)[Fe+3]123([O-]=O)[N-]4C5=CC=C4C4=C6C=CC(C7=C8C=CC([N-]18)=C1C8=[N]2C(C=C8)=C5C2=CC=CC=C2OCCOC(=O)C2=C(C=C(C(=C2)C(=O)OCCOC2=CC=CC=C12)C(=O)OCCOC1=CC=CC=C71)C(=O)OCCOC1=CC=CC=C41)=[N]36
C66H48FeN6O14
null
null
null
null
null
null
InChI=1S/C11H15O4P/c1-6(12)8-5-11(2)9(16-15-11)4-7(8)10(13)14-3/h4-5,9H,1-3,16H3
BNNAITDKWOKIJR-UHFFFAOYSA-N
COC(=O)C1=CC2[PH3]OC2(C)C=C1C(C)=O
C11H15O4P
null
null
methyl 4-acetyl-6-methyl-7-oxa-8λ⁵-phosphabicyclo[4.2.0]octa-2,4-diene-3-carboxylate
null
null
null
InChI=1S/C30H28N6O3S/c1-38-29-15-22(17-31)33-36(29)18-28(37)35-13-11-21(12-14-35)30-32-26(19-40-30)25-16-27(39-34-25)24-10-6-5-9-23(24)20-7-3-2-4-8-20/h2-10,15,19,21,27H,11-14,16,18H2,1H3
BNNFWEDGBBYFBL-UHFFFAOYSA-N
COC1=CC(=NN1CC(=O)N1CCC(CC1)C1=NC(=CS1)C1=NOC(C1)C1=C(C=CC=C1)C1=CC=CC=C1)C#N
C30H28N6O3S
null
null
1-(2-{4-[4-(5-{[1,1'-biphenyl]-2-yl}-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl}-2-oxoethyl)-5-methoxy-1H-pyrazole-3-carbonitrile
null
null
null
InChI=1S/C16H6BrClF9NS/c17-9-3-7(1-2-12(9)29-16(25,26)27)4-11(19)13-8(5-28-6-10(13)18)14(20,21)15(22,23)24/h1-6H
BNNGXZICSGDBCQ-UHFFFAOYSA-N
FC(=CC1=CC(Br)=C(SC(F)(F)F)C=C1)C1=C(Cl)C=NC=C1C(F)(F)C(F)(F)F
C16H6BrClF9NS
null
null
4-(2-{3-bromo-4-[(trifluoromethyl)sulfanyl]phenyl}-1-fluoroethenyl)-3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridine
null
null
null
InChI=1S/C60H42N2/c1-59(2)52-24-8-4-23-49(52)51-37-44(30-32-53(51)59)62(43-19-14-17-41(36-43)40-16-13-18-42(35-40)61-34-33-39-15-3-12-28-58(39)61)45-29-31-50-48-22-7-11-27-56(48)60(57(50)38-45)54-25-9-5-20-46(54)47-21-6-10-26-55(47)60/h3-38H,1-2H3
BNNQTOZGGAEWFC-UHFFFAOYSA-N
CC1(C)C2=CC=CC=C2C2=CC(=CC=C12)N(C1=CC(=CC=C1)C1=CC(=CC=C1)N1C=CC2=CC=CC=C12)C1=CC=C2C3=CC=CC=C3C3(C4=CC=CC=C4C4=CC=CC=C34)C2=C1
C60H42N2
CC1(C)C2=CC=CC=C2C2=CC(=CC=C12)N(C1=CC(=CC=C1)C1=CC(=CC=C1)N1C=CC2=CC=CC=C12)C1=CC=C2C3=CC=CC=C3C3(C4=CC=CC=C4C4=CC=CC=C34)C2=C1
null
N-(9,9-dimethyl-9H-fluoren-3-yl)-N-[3'-(1H-indol-1-yl)-[1,1'-biphenyl]-3-yl]-9,9'-spirobi[fluoren]-2-amine
null
null
null
InChI=1S/C27H33N3O7/c1-7-36-21-10-9-17(11-22(21)37-8-2)25-28-14-18(26(34)30(25)15-16(3)29-35-6)24(33)23-19(31)12-27(4,5)13-20(23)32/h9-11,14,31H,7-8,12-13,15H2,1-6H3
BNNQTWFHUUTWBO-UHFFFAOYSA-N
CCOC1=C(OCC)C=C(C=C1)C1=NC=C(C(=O)C2=C(O)CC(C)(C)CC2=O)C(=O)N1CC(C)=NOC
C27H33N3O7
CCOC1=C(OCC)C=C(C=C1)C1=NC=C(C(=O)C2=C(O)CC(C)(C)CC2=O)C(=O)N1CC(C)=NOC
null
2-(3,4-diethoxyphenyl)-5-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbonyl)-3-[2-(methoxyimino)propyl]-3,4-dihydropyrimidin-4-one
null
null
null
InChI=1S/C27H35N9OS/c1-17-33-34-25(38-17)20-7-6-19(28-10-15-35-11-4-5-12-35)22(31-20)18-8-13-36(14-9-18)24-21-23(29-16-30-24)32-26(37)27(21,2)3/h6-7,16,18,28H,4-5,8-15H2,1-3H3,(H,29,30,32,37)
BNNSXJXPISDBPT-UHFFFAOYSA-N
CC1=NN=C(S1)C2=NC(=C(C=C2)NCCN3CCCC3)C4CCN(CC4)C5=NC=NC6=C5C(C(=O)N6)(C)C
C27H35N9OS
CC1=NN=C(S1)C2=NC(=C(C=C2)NCCN3CCCC3)C4CCN(CC4)C5=NC=NC6=C5C(C(=O)N6)(C)C
5,5-dimethyl-4-[4-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-pyrrolidin-1-ylethylamino)pyridin-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
5,5-dimethyl-4-{4-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-{[2-(pyrrolidin-1-yl)ethyl]amino}pyridin-2-yl]piperidin-1-yl}-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one
null
null
null
InChI=1S/C20H14Cl2O8/c21-9-1-7(3-11-17(9)29-5-27-11)13-14(16(20(25)26)15(13)19(23)24)8-2-10(22)18-12(4-8)28-6-30-18/h1-4,13-16H,5-6H2,(H,23,24)(H,25,26)/t13-,14+,15+,16-
BNNUHLOAKCPOOW-SYMSYNOKSA-N
OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1C1=CC(Cl)=C2OCOC2=C1)C1=CC(Cl)=C2OCOC2=C1)C(O)=O
C20H14Cl2O8
OC(=O)C1C(C(C1C1=CC(Cl)=C2OCOC2=C1)C1=CC(Cl)=C2OCOC2=C1)C(O)=O
null
(1R,2S,3R,4S)-3,4-bis(7-chloro-2H-1,3-benzodioxol-5-yl)cyclobutane-1,2-dicarboxylic acid
null
null
null
InChI=1S/C76H120N18O23S/c1-9-42(6)64(80)76(117)83-38-60(99)85-55(34-44-16-20-46(95)21-17-44)74(115)93-56(35-45-18-22-47(96)23-19-45)75(116)94-57(36-62(102)103)71(112)84-43(7)65(106)86-50(24-26-58(79)97)69(110)88-49(15-11-13-30-78)68(109)91-54(33-41(4)5)73(114)92-53(32-40(2)3)72(113)89-51(25-27-61(100)101)70(111)87-48(1...
BNNUTLDBYCRRMW-POEULGOXSA-N
CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)NCC(O)=O
C76H120N18O23S
null
null
(4S)-4-{[(1S)-5-amino-1-{[(1S)-1-({[(carboxymethyl)carbamoyl]methyl}carbamoyl)-3-(methylsulfanyl)propyl]carbamoyl}pentyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3S)-2-amino-3-methylpentanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]...
null
null
null
InChI=1S/C19H26ClF4NO2S2/c1-4-7-14(13-8-9-15(20)16(21)12-13)18(5-2,17(28)25-6-3)29(26,27)11-10-19(22,23)24/h8-9,12,14H,4-7,10-11H2,1-3H3,(H,25,28)
BNNVJWKKICXMCZ-UHFFFAOYSA-N
CCCC(C1=CC(F)=C(Cl)C=C1)C(CC)(C(=S)NCC)[S](=O)(=O)CCC(F)(F)F
C19H26ClF4NO2S2
null
null
3-(4-chloro-3-fluorophenyl)-N,2-diethyl-2-(3,3,3-trifluoropropanesulfonyl)hexanethioamide
null
null
null
InChI=1S/C21H28F4N2O/c1-7-9-27(6)13-26-16-11-15(18(22)23)17(10-14(16)3)28-12-20(8-2)19(4,5)21(20,24)25/h7,10-11,13,18H,1,8-9,12H2,2-6H3
BNNVPIIKYGOASN-UHFFFAOYSA-N
CCC1(COC2=C(C=C(N=CN(C)CC=C)C(C)=C2)C(F)F)C(C)(C)C1(F)F
C21H28F4N2O
CCC1(COC2=C(C=C(N=CN(C)CC=C)C(C)=C2)C(F)F)C(C)(C)C1(F)F
null
N'-[5-(difluoromethyl)-4-[(1-ethyl-2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]-2-methylphenyl]-N-methyl-N-(prop-2-en-1-yl)methanimidamide
null
null
null
InChI=1S/C38H48Cl4N6/c1-25-19-30-22-35-27(3)31(7-5-13-47(15-9-39)16-10-40)37(45-35)24-38-32(8-6-14-48(17-11-41)18-12-42)28(4)36(46-38)23-34-26(2)20-29(44-34)21-33(25)43-30/h19-24,43,46H,5-18H2,1-4H3/b29-21?,30-22-,33-21-,34-23-,35-22?,36-23?,37-24-,38-24?
BNNXEFGAIWEJOF-MFAPAOMQSA-N
CC1=C/C2=C/C3=N/C(=C\C4=C(CCCN(CCCl)CCCl)C(C)=C(N4)/C=C4\N=C(C=C4C)\C=C\1/N\2)/C(CCCN(CCCl)CCCl)=C3C
C38H48Cl4N6
null
null
[3-(20-{3-[bis(2-chloroethyl)amino]propyl}-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl)propyl]bis(2-chloroethyl)amine
null
null
null
InChI=1S/C23H21N/c1-2-8-19(9-3-1)16-24-17-22-12-6-4-10-20(22)14-15-21-11-5-7-13-23(21)18-24/h1-15H,16-18H2/b15-14-
BNOACIXVLQZKSH-PFONDFGASA-N
C(N1CC2=CC=CC=C2\C=C/C2=CC=CC=C2C1)C1=CC=CC=C1
C23H21N
null
null
(2Z)-11-benzyl-11-azatricyclo[11.4.0.0⁴,⁹]heptadeca-1(17),2,4,6,8,13,15-heptaene
null
null
null
InChI=1S/C18H13BrF2N4O/c19-18(9-25-11-22-10-23-25)16(12-5-7-13(20)8-6-12)24-26-17(18)14-3-1-2-4-15(14)21/h1-8,10-11,17H,9H2
BNOBGQKAEXRFAU-UHFFFAOYSA-N
FC1=CC=C(C=C1)C1=NOC(C2=C(F)C=CC=C2)C1(Br)CN1C=NC=N1
C18H13BrF2N4O
null
null
1-{[4-bromo-5-(2-fluorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methyl}-1H-1,2,4-triazole
null
null
null
InChI=1S/C20H15N5S/c1-14-7-10-16(11-8-14)22-24-19-13-21-20(26-19)25-23-18-12-9-15-5-3-2-4-6-17(15)18/h2-13H,1H3
BNOFMVBPTSITRU-UHFFFAOYSA-N
CC1=CC=C(C=C1)N=NC1=CN=C(S1)N=NC1=CC=C2C=CC=CC=C12
C20H15N5S
CC1=CC=C(C=C1)N=NC2=CN=C(S2)N=NC3=C4C=CC=CC=C4C=C3
azulen-1-yl-[5-[(4-methylphenyl)diazenyl]-1,3-thiazol-2-yl]diazene
2-[2-(azulen-1-yl)diazen-1-yl]-5-[2-(4-methylphenyl)diazen-1-yl]-1,3-thiazole
{"alternativeParents":["CHEMONTID:0001091","CHEMONTID:0002635","CHEMONTID:0004144","CHEMONTID:0000410","CHEMONTID:0003633","CHEMONTID:0004139","CHEMONTID:0004557","CHEMONTID:0004150"],"directParent":"CHEMONTID:0000290","intermediateNodes":["CHEMONTID:0002840"],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aromati...
null
null
InChI=1S/C18H19FN4O2/c1-7-5-11(19)16(24)9(3)12(7)13-14(20)15(17(21)25)23-6-8(2)10(4)22-18(13)23/h5-6,24H,20H2,1-4H3,(H2,21,25)
BNOHCZILVOMVQJ-UHFFFAOYSA-N
CC1=CN2C(N=C1C)=C(C(N)=C2C(N)=O)C1=C(C)C(O)=C(F)C=C1C
C18H19FN4O2
null
null
7-amino-8-(4-fluoro-3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[1,2-a]pyrimidine-6-carboxamide
null
null
null
InChI=1S/C24H25NO4S/c1-19-12-14-23(15-13-19)30(28,29)25(18-24(26)27)17-22(21-10-6-3-7-11-21)16-20-8-4-2-5-9-20/h2-15,22H,16-18H2,1H3,(H,26,27)
BNOIRFDCARLEDZ-UHFFFAOYSA-N
CC1=CC=C(C=C1)[S](=O)(=O)N(CC(CC1=CC=CC=C1)C1=CC=CC=C1)CC(O)=O
C24H25NO4S
null
null
2-[N-(2,3-diphenylpropyl)4-methylbenzenesulfonamido]acetic acid
null
null
null
InChI=1S/C15H6F4N8O3S2/c16-9-6(11(28)22-13-24-23-12(30-13)8-5-20-3-4-21-8)1-2-7(15(17,18)19)10(9)32(29)14-25-26-27-31-14/h1-5H,(H,22,24,28)
BNOJIQVREITKOF-UHFFFAOYSA-N
FC1=C(C=CC(=C1[S](=O)C1=NN=NS1)C(F)(F)F)C(=O)NC1=NN=C(O1)C1=NC=CN=C1
C15H6F4N8O3S2
null
null
2-fluoro-N-[5-(pyrazin-2-yl)-1,3,4-oxadiazol-2-yl]-3-(1,2,3,4-thiatriazole-5-sulfinyl)-4-(trifluoromethyl)benzamide
null
null
null
InChI=1S/C23H20FNO5S/c1-3-29-20(27)22(21(28)30-4-2)17(14-8-6-5-7-9-14)23(22)19(26)25-18(31-23)15-10-12-16(24)13-11-15/h5-13,17H,3-4H2,1-2H3/t17-,23+/m0/s1
BNONWBPTAKLYQY-IEEZMJIRSA-N
CCOC(=O)C1([C@H](C2=CC=CC=C2)[C@]11SC(=NC1=O)C1=CC=C(F)C=C1)C(=O)OCC
C23H20FNO5S
null
null
1,1-diethyl (2S,3S)-5-(4-fluorophenyl)-7-oxo-2-phenyl-4-thia-6-azaspiro[2.4]hept-5-ene-1,1-dicarboxylate
null
null
null
InChI=1S/C17H17ClFN5/c1-2-15(23-17-22-8-11(7-20)16(21)24-17)10-3-9-4-12(19)6-14(18)13(9)5-10/h4,6,8,10,15H,2-3,5H2,1H3,(H3,21,22,23,24)
BNOPEWVMGQSNTL-UHFFFAOYSA-N
CCC(NC1=NC=C(C#N)C(N)=N1)C1CC2=CC(F)=CC(Cl)=C2C1
C17H17ClFN5
null
null
4-amino-2-{[1-(4-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl)propyl]amino}pyrimidine-5-carbonitrile
null
null
null
InChI=1S/C24H21F3N8O3S/c1-4-33-20(17-12-15(6-9-28-17)24(25,26)27)29-13-16(21(33)36)19-22(39(37,38)5-2)34-10-8-18(30-23(34)31-19)35-11-7-14(3)32-35/h6-13H,4-5H2,1-3H3
BNORBCMNPLYTTA-UHFFFAOYSA-N
CCN1C(=O)C(=CN=C1C1=CC(=CC=N1)C(F)(F)F)C1=C(N2C=CC(=NC2=N1)N1C=CC(C)=N1)[S](=O)(=O)CC
C24H21F3N8O3S
null
null
5-[3-(ethanesulfonyl)-7-(3-methyl-1H-pyrazol-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-3-ethyl-2-[4-(trifluoromethyl)pyridin-2-yl]-3,4-dihydropyrimidin-4-one
null
null
null
InChI=1S/C20H20N2O/c1-18-12-19(2)17(23)13-8-4-7-11-16(13)22(19)20(18,3)21-15-10-6-5-9-14(15)18/h4-11,21H,12H2,1-3H3
BNOUNYFLYOIXEC-UHFFFAOYSA-N
CC12CC3(C(=O)C4=CC=CC=C4N3C1(NC5=CC=CC=C25)C)C
C20H20N2O
CC12CC3(C(=O)C4=CC=CC=C4N3C1(NC5=CC=CC=C25)C)C
1,10,12-trimethyl-2,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,13,15,17-hexaen-9-one
1,10,12-trimethyl-2,19-diazapentacyclo[10.7.0.0²,¹⁰.0³,⁸.0¹³,¹⁸]nonadeca-3,5,7,13,15,17-hexaen-9-one
{"alternativeParents":["CHEMONTID:0001146","CHEMONTID:0002497","CHEMONTID:0003901","CHEMONTID:0003671","CHEMONTID:0002458","CHEMONTID:0002448","CHEMONTID:0003890","CHEMONTID:0000218","CHEMONTID:0000090","CHEMONTID:0004139","CHEMONTID:0004557","CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"CHEMONTID:0001733","...
null
null
InChI=1S/C18H14F3N3O4/c19-12-8-23-17(24-9-12)27-13-4-1-3-11-7-15(25)28-18(10-22,16(11)13)26-6-2-5-14(20)21/h1,3-4,8-9,14H,2,5-7H2
BNOVETJQPZAWPW-UHFFFAOYSA-N
FC(F)CCCOC1(OC(=O)CC2=CC=CC(OC3=NC=C(F)C=N3)=C12)C#N
C18H14F3N3O4
null
null
1-(4,4-difluorobutoxy)-8-[(5-fluoropyrimidin-2-yl)oxy]-3-oxo-3,4-dihydro-1H-2-benzopyran-1-carbonitrile
null
null
null
InChI=1S/C34H38ClN3O3/c35-28-13-10-24(11-14-28)22-37-18-19-38(32-9-5-4-8-31(32)37)34(40)30-16-15-29(21-36-30)41-33-17-12-26(20-27(33)23-39)25-6-2-1-3-7-25/h10-17,20-21,23,25,31-32H,1-9,18-19,22H2
BNOWWVIVFMNUAZ-UHFFFAOYSA-N
ClC1=CC=C(CN2CCN(C3CCCCC23)C(=O)C2=CC=C(OC3=C(C=O)C=C(C=C3)C3CCCCC3)C=N2)C=C1
C34H38ClN3O3
null
null
2-[(6-{4-[(4-chlorophenyl)methyl]-decahydroquinoxaline-1-carbonyl}pyridin-3-yl)oxy]-5-cyclohexylbenzaldehyde
null
null
null
InChI=1S/C31H39F3N6O3Si2/c1-44(2,3)14-12-41-20-39-27-10-9-24(43-31(32,33)34)17-26(27)37-30(39)28-25-16-23(22-8-7-11-35-18-22)19-36-29(25)40(38-28)21-42-13-15-45(4,5)6/h7-11,16-19H,12-15,20-21H2,1-6H3
BNOXVMTTYYWRLK-UHFFFAOYSA-N
C[Si](C)(C)CCOCN1N=C(C2=NC3=CC(OC(F)(F)F)=CC=C3N2COCC[Si](C)(C)C)C2=CC(=CN=C12)C1=CN=CC=C1
C31H39F3N6O3Si2
C[Si](C)(C)CCOCN1C2=C(C=C(C=C2)OC(F)(F)F)N=C1C3=NN(C4=NC=C(C=C34)C5=CN=CC=C5)COCC[Si](C)(C)C
trimethyl-[2-[[5-pyridin-3-yl-3-[5-(trifluoromethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl]silane
2-[5-(pyridin-3-yl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-(trifluoromethoxy)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-1,3-benzodiazole
null
{"us":2}
null
InChI=1S/C20H19BrCl3N3O2/c1-27-19(14-6-4-12(22)10-15(14)23)18(20(21)26-27)25-17-7-5-13(11-16(17)24)29-9-3-8-28-2/h4-7,10-11,25H,3,8-9H2,1-2H3
BNOYMWIBOBQPRJ-UHFFFAOYSA-N
COCCCOC1=CC(Cl)=C(NC2=C(N(C)N=C2Br)C2=C(Cl)C=C(Cl)C=C2)C=C1
C20H19BrCl3N3O2
null
null
3-bromo-N-[2-chloro-4-(3-methoxypropoxy)phenyl]-5-(2,4-dichlorophenyl)-1-methyl-1H-pyrazol-4-amine
null
null
null
InChI=1S/C53H34/c1-3-20-39(21-4-1)53(40-22-5-2-6-23-40)49-34-38(30-31-42(49)48-32-36-17-7-8-18-37(36)33-50(48)53)51-44-25-11-13-27-46(44)52(47-28-14-12-26-45(47)51)43-29-15-19-35-16-9-10-24-41(35)43/h1-34H
BNPAQPIZVYJUHS-UHFFFAOYSA-N
C1=CC=C(C=C1)C1(C2=CC(=CC=C2C2=CC3=CC=CC=C3C=C12)C1=C2C=CC=CC2=C(C2=CC=CC3=C2C=CC=C3)C2=C1C=CC=C2)C1=CC=CC=C1
C53H34
null
null
9-{11,11-diphenyl-11H-benzo[b]fluoren-2-yl}-10-(naphthalen-1-yl)anthracene
null
null
null
InChI=1S/C106H171N19O20S2/c1-22-68(18)89(124-100(138)80(51-64(10)11)114-96(134)78(49-62(6)7)115-101(139)84(56-126)121-94(132)75(41-32-33-44-107)112-92(130)74(108)43-46-146-21)105(143)119-81(52-65(12)13)99(137)123-88(67(16)17)104(142)118-79(50-63(8)9)97(135)122-85(59-147-58-73-39-30-25-31-40-73)102(140)116-82(54-71-35-2...
BNPGDPJIMGTCNR-GAVZGJNJSA-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](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C...
C106H171N19O20S2
null
null
benzyl 2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]hexanamido]-3-hydroxypropanamido]-4-methylpentanamido]-4-methylpentanamido]-3-methylpentanamido]-4-methylpentanamido]-3-methylbu...
null
null
null
InChI=1S/C22H18F4N8O2/c1-3-13-8-15(23)9-18(34-21(35)32(2)30-31-34)17(13)12-36-19-5-7-33(29-19)20-16(11-27)14(4-6-28-20)10-22(24,25)26/h4-9H,3,10,12H2,1-2H3
BNPIOCGMRXPNFP-UHFFFAOYSA-N
CCC1=CC(F)=CC(N2N=NN(C)C2=O)=C1COC1=NN(C=C1)C1=C(C#N)C(CC(F)(F)F)=CC=N1
C22H18F4N8O2
null
null
2-(3-{[2-ethyl-4-fluoro-6-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)phenyl]methoxy}-1H-pyrazol-1-yl)-4-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile
null
null
null
InChI=1S/C12H12F2N2O2S/c1-3-18-12(17)9-5-4-8(19-9)7-6-16(2)15-10(7)11(13)14/h4-6,11H,3H2,1-2H3
BNPNREATYYKOTF-UHFFFAOYSA-N
CCOC(=O)C1=CC=C(S1)C1=CN(C)N=C1C(F)F
C12H12F2N2O2S
null
null
ethyl 5-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]thiophene-2-carboxylate
null
null
null
InChI=1S/C48H74O12/c1-13-35(49)55-27-45(10)31-21-24-46(11)32(44(31,9)23-22-33(45)57-37(51)15-3)20-19-29-30-25-43(7,8)41(59-39(53)17-5)42(60-40(54)18-6)48(30,28-56-36(50)14-2)34(26-47(29,46)12)58-38(52)16-4/h19,30-34,41-42H,13-18,20-28H2,1-12H3/t30-,31+,32+,33-,34+,41-,42-,44-,45+,46+,47+,48-/m0/s1
BNPNROJTCCBYSE-DFDGPJKRSA-N
[H][C@@]12CC(C)(C)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@]1(COC(=O)CC)[C@@H](C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CC)[C@](C)(COC(=O)CC)[C@]3([H])CC[C@@]12C)OC(=O)CC
C48H74O12
null
null
[(3R,4R,4aR,5R,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-2,2,6a,6b,9,12a-hexamethyl-3,4,5,10-tetrakis(propanoyloxy)-9-[(propanoyloxy)methyl]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl]methyl propanoate
null
null
null
InChI=1S/C26H18F2N2O4/c27-20-5-2-6-21(28)24(20)25-29-23(14-33-25)30-15-34-22(26(30)32)12-16-7-9-18(10-8-16)19-4-1-3-17(11-19)13-31/h1-13,23H,14-15H2
BNPRRQVRFLALKI-UHFFFAOYSA-N
FC1=CC=CC(F)=C1C1=NC(CO1)N1COC(=CC2=CC=C(C=C2)C2=CC(C=O)=CC=C2)C1=O
C26H18F2N2O4
null
null
4'-({3-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-4-oxo-1,3-oxazolidin-5-ylidene}methyl)-[1,1'-biphenyl]-3-carbaldehyde
null
null
null
InChI=1S/C28H26N2O3/c1-32-21-12-8-18(9-13-21)23-17-24(19-10-14-22(33-2)15-11-19)26(23)28(31)30-25-7-3-5-20-6-4-16-29-27(20)25/h3-16,23-24,26H,17H2,1-2H3,(H,30,31)/t23-,24+,26+
BNPXQJKDBFXDQJ-OCYIUTNCSA-N
COC1=CC=C(C=C1)[C@H]1C[C@H]([C@H]1C(=O)NC1=CC=CC2=C1N=CC=C2)C1=CC=C(OC)C=C1
C28H26N2O3
null
null
(1s,2R,4S)-2,4-bis(4-methoxyphenyl)-N-(quinolin-8-yl)cyclobutane-1-carboxamide
null
null
null
InChI=1S/C27H24F2N2O4/c1-4-25(32)23(30-2)21(16-8-6-5-7-9-16)26(18-12-10-17(11-13-18)24(28)29)27(25,33)22-20(35-26)14-19(34-3)15-31-22/h1,5-15,21,23-24,30,32-33H,2-3H3/t21-,23-,25-,26+,27+/m1/s1
BNQAXRHDMBNDBT-WGRRBFOZSA-N
CN[C@@H]1[C@@H](C2=CC=CC=C2)[C@@]2(OC3=CC(OC)=CN=C3[C@]2(O)[C@@]1(O)C#C)C1=CC=C(C=C1)C(F)F
C27H24F2N2O4
null
null
(2S,3R,4R,5R,6R)-6-[4-(difluoromethyl)phenyl]-3-ethynyl-10-methoxy-4-(methylamino)-5-phenyl-7-oxa-12-azatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-2,3-diol
null
null
null
InChI=1S/C20H22N2O3S/c1-5-13-8-9-14(16-7-6-10-21-22-16)11-15(13)17-18(23)12(2)26(25)20(3,4)19(17)24/h6-12,24H,5H2,1-4H3
BNQBSBHPBJHMQP-UHFFFAOYSA-N
CCC1=C(C=C(C=C1)C1=CC=CN=N1)C1=C(O)C(C)(C)[S](=O)C(C)C1=O
C20H22N2O3S
null
null
4-[2-ethyl-5-(pyridazin-3-yl)phenyl]-5-hydroxy-2,6,6-trimethyl-3,6-dihydro-2H-1λ⁴-thiopyran-1,3-dione
null
null
null
InChI=1S/C15H26N6O7.ClH/c1-2-28-15(27)9-21-10(22)3-4-17-12(24)6-19-14(26)8-20-13(25)7-18-11(23)5-16;/h2-9,16H2,1H3,(H,17,24)(H,18,23)(H,19,26)(H,20,25)(H,21,22);1H
BNQDYUMAWIUMPE-UHFFFAOYSA-N
Cl.CCOC(=O)CNC(=O)CCNC(=O)CNC(=O)CNC(=O)CNC(=O)CN
C15H27ClN6O7
null
null
ethyl 2-[3-(2-{2-[2-(2-aminoacetamido)acetamido]acetamido}acetamido)propanamido]acetate hydrochloride
null
null
null
InChI=1S/C15H24N2O5S/c1-10(2)16-9-14(18)12-5-7-13(8-6-12)17-23(20,21)11(3)15(19)22-4/h5-8,10-11,14,16-18H,9H2,1-4H3
BNQIMPSJDHGFBM-UHFFFAOYSA-N
COC(=O)C(C)[S](=O)(=O)NC1=CC=C(C=C1)C(O)CNC(C)C
C15H24N2O5S
null
null
methyl 2-[(4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenyl)sulfamoyl]propanoate
null
null
null
InChI=1S/C92H64F4N2O2/c1-3-55-99-75-47-37-69(38-48-75)91(67-23-13-7-14-24-67)81-57-65(61-19-9-5-10-20-61)35-51-77(81)79-53-45-73(59-83(79)91)97(89-85(93)27-17-28-86(89)94)71-41-31-63(32-42-71)64-33-43-72(44-34-64)98(90-87(95)29-18-30-88(90)96)74-46-54-80-78-52-36-66(62-21-11-6-12-22-62)58-82(78)92(84(80)60-74,68-25-15-...
BNQOBLCNWSTWLW-UHFFFAOYSA-N
C=CCOC1=CC=C(C=C1)C2(C3=C(C=CC(=C3)C4=CC=CC=C4)C5=C2C=C(C=C5)N(C6=CC=C(C=C6)C7=CC=C(C=C7)N(C8=CC9=C(C=C8)C1=C(C9(C2=CC=CC=C2)C2=CC=C(C=C2)OCC=C)C=C(C=C1)C1=CC=CC=C1)C1=C(C=CC=C1F)F)C1=C(C=CC=C1F)F)C1=CC=CC=C1
C92H64F4N2O2
C=CCOC1=CC=C(C=C1)C2(C3=C(C=CC(=C3)C4=CC=CC=C4)C5=C2C=C(C=C5)N(C6=CC=C(C=C6)C7=CC=C(C=C7)N(C8=CC9=C(C=C8)C1=C(C9(C2=CC=CC=C2)C2=CC=C(C=C2)OCC=C)C=C(C=C1)C1=CC=CC=C1)C1=C(C=CC=C1F)F)C1=C(C=CC=C1F)F)C1=CC=CC=C1
N-(2,6-difluorophenyl)-N-[4-[4-(N-[7,9-diphenyl-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-7,9-diphenyl-9-(4-prop-2-enoxyphenyl)fluoren-2-amine
N4,N4'-bis(2,6-difluorophenyl)-N4,N4'-bis({7,9-diphenyl-9-[4-(prop-2-en-1-yloxy)phenyl]-9H-fluoren-2-yl})-[1,1'-biphenyl]-4,4'-diamine
null
null
null
InChI=1S/C17H11ClF5N7O3S2/c1-2-35(32,33)15-13(26-11-4-10(18)25-7-29(11)15)30-14(31)9-3-8(5-24-12(9)27-28-30)34-6-16(19,20)17(21,22)23/h3-5,7H,2,6H2,1H3
BNQOMOAOFQTRBK-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=C2C=C(Cl)N=CN12)N1N=NC2=NC=C(SCC(F)(F)C(F)(F)F)C=C2C1=O
C17H11ClF5N7O3S2
CCS(=O)(=O)C1=C(N=C2C=C(Cl)N=CN12)N1N=NC2=NC=C(SCC(F)(F)C(F)(F)F)C=C2C1=O
null
3-[7-chloro-3-(ethanesulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-6-[(2,2,3,3,3-pentafluoropropyl)sulfanyl]-3H,4H-pyrido[2,3-d][1,2,3]triazin-4-one
null
null
null
InChI=1S/C27H32O4S/c1-4-19-13-21(23-9-7-6-8-17(23)3)14-20(5-2)25(19)26-24(28)15-22(27(26)29)12-18-10-11-32(30,31)16-18/h6-9,13-14,18,22,28H,4-5,10-12,15-16H2,1-3H3
BNQXUDWMQLZAAV-UHFFFAOYSA-N
CCC1=CC(=CC(CC)=C1C1=C(O)CC(CC2CC[S](=O)(=O)C2)C1=O)C1=C(C)C=CC=C1
C27H32O4S
null
null
3-[(3-{3,5-diethyl-2'-methyl-[1,1'-biphenyl]-4-yl}-4-hydroxy-2-oxocyclopent-3-en-1-yl)methyl]-1λ⁶-thiolane-1,1-dione
null
null
null
InChI=1S/C20H22BOP/c1-15-13-14-19(20(22)16(15)2)23(21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,22H,1-2,21H3
BNRKYNOJOSBJGF-UHFFFAOYSA-N
[H-][B+3]([H-])([H-])[P](C1=CC=CC=C1)(C1=CC=CC=C1)C1=C(O)C(C)=C(C)C=C1
C20H22BOP
null
null
(2-hydroxy-3,4-dimethylphenyl)diphenyl(trihydrogeniuide-λ¹-boranetriiumyl)-λ⁵-phosphanyl
null
null
null
InChI=1S/C31H33F2N7O2/c1-19-13-22(26-5-6-28(42-2)38-37-26)15-25-29(19)35-18-36-30(25)40-10-7-20-3-4-21(14-23(20)17-40)31(41)39-11-8-24(9-12-39)34-16-27(32)33/h3-6,13-15,18,24,27,34H,7-12,16-17H2,1-2H3
BNRLFZYSTDNPGC-UHFFFAOYSA-N
COC1=CC=C(N=N1)C1=CC2=C(N=CN=C2N2CCC3=CC=C(C=C3C2)C(=O)N2CCC(CC2)NCC(F)F)C(C)=C1
C31H33F2N7O2
CC1=C2C(=CC(=C1)C3=NN=C(C=C3)OC)C(=NC=N2)N4CCC5=C(C4)C=C(C=C5)C(=O)N6CCC(CC6)NCC(F)F
[4-(2,2-difluoroethylamino)piperidin-1-yl]-[2-[6-(6-methoxypyridazin-3-yl)-8-methylquinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone
N-(2,2-difluoroethyl)-1-{2-[6-(6-methoxypyridazin-3-yl)-8-methylquinazolin-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carbonyl}piperidin-4-amine
{"alternativeParents":["CHEMONTID:0002314","CHEMONTID:0002955","CHEMONTID:0003901","CHEMONTID:0000128","CHEMONTID:0002357","CHEMONTID:0001262","CHEMONTID:0000074","CHEMONTID:0003886","CHEMONTID:0002448","CHEMONTID:0001664","CHEMONTID:0004144","CHEMONTID:0000347","CHEMONTID:0004139","CHEMONTID:0002228","CHEMONTID:000415...
{"wo":1}
null
InChI=1S/C24H21BN2O4/c1-23(2)24(3,4)31-25(30-23)15-5-6-19-16(11-15)17-12-21-18(13-20(17)28-19)27-22(29-21)14-7-9-26-10-8-14/h5-13H,1-4H3
BNRLPNAFYYDGHT-UHFFFAOYSA-N
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC4=CC5=C(C=C43)OC(=N5)C6=CC=NC=C6
C24H21BN2O4
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC4=CC5=C(C=C43)OC(=N5)C6=CC=NC=C6
2-pyridin-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazole
13-(pyridin-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8,14-dioxa-12-azatetracyclo[7.7.0.0²,⁷.0¹¹,¹⁵]hexadeca-1(16),2,4,6,9,11(15),12-heptaene
null
null
null
InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)/i1D3,4D3,5D2,7D2
BNRNXUUZRGQAQC-HXCZHCFTSA-N
[2H]C([2H])([2H])N1N=C(C2=C1C(=O)N=C(N2)C1=C(OCC)C=CC(=C1)[S](=O)(=O)N1CCN(C)CC1)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
C22H30N6O4S
null
null
5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-(²H₃)methyl-3-[(1,1,2,2,3,3,3-²H₇)propyl]-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one
null
null
null
InChI=1S/C24H23F3N6O3S2/c1-5-35-21(16-9-7-11-20-17(16)12-15(3)38-20)28-29-22(36-24(25,26)27)37-13-18-14(2)8-6-10-19(18)33-23(34)32(4)30-31-33/h6-12H,5,13H2,1-4H3
BNRRSNIUXHHBAA-UHFFFAOYSA-N
CCOC(=NN=C(OC(F)(F)F)SCC1=C(C=CC=C1C)N1N=NN(C)C1=O)C1=C2C=C(C)SC2=CC=C1
C24H23F3N6O3S2
null
null
1-[2-({[({[ethoxy(2-methyl-1-benzothiophen-4-yl)methylidene]amino}imino)(trifluoromethoxy)methyl]sulfanyl}methyl)-3-methylphenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C24H15ClF5NO2/c25-19-4-2-1-3-16(19)24(32)33-8-7-15(23-21(29)10-14(27)11-22(23)30)18(12-31)17-9-13(26)5-6-20(17)28/h1-6,9-11,15,18H,7-8H2/t15-,18-/m1/s1
BNRSEVPICSLUMN-YKHWREDPSA-N
FC1=CC([C@H](C#N)[C@@H](CCOC(=O)C2=C(Cl)C=CC=C2)C2=C(F)C=C(F)C=C2F)=C(F)C=C1
C24H15ClF5NO2
null
null
(3R,4R)-4-cyano-4-(2,5-difluorophenyl)-3-(2,4,6-trifluorophenyl)butyl 2-chlorobenzoate
null
null
null