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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/C23H19F2N7O/c1-33-22-20-18(27-13-28-22)3-6-31(20)17-10-19-21(26-11-17)29-23(30-4-2-5-30)32(19)12-14-7-15(24)9-16(25)8-14/h3,6-11,13H,2,4-5,12H2,1H3
AGQYMFVKDQRKMQ-UHFFFAOYSA-N
COC1=NC=NC2=C1N(C=C2)C3=CC4=C(N=C3)N=C(N4CC5=CC(=CC(=C5)F)F)N6CCC6
C23H19F2N7O
COC1=NC=NC2=C1N(C=C2)C3=CC4=C(N=C3)N=C(N4CC5=CC(=CC(=C5)F)F)N6CCC6
2-(azetidin-1-yl)-1-[(3,5-difluorophenyl)methyl]-6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)imidazo[4,5-b]pyridine
1-{1-[(3,5-difluorophenyl)methyl]-6-{4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-5-yl}-1H-imidazo[4,5-b]pyridin-2-yl}azetidine
null
null
null
InChI=1S/C19H24FN5O2/c20-14-2-4-15(5-3-14)27-16-7-12-25(13-8-16)11-1-9-22-19-23-10-6-17(24-19)18(21)26/h2-6,10,16H,1,7-9,11-13H2,(H2,21,26)(H,22,23,24)
AGQYWSFQZQQAAP-UHFFFAOYSA-N
NC(=O)C1=NC(NCCCN2CCC(CC2)OC2=CC=C(F)C=C2)=NC=C1
C19H24FN5O2
C1CN(CCC1OC2=CC=C(C=C2)F)CCCNC3=NC=CC(=N3)C(=O)N
2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propylamino]pyrimidine-4-carboxamide
2-({3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl}amino)pyrimidine-4-carboxamide
{"alternativeParents":["CHEMONTID:0004817","CHEMONTID:0004742","CHEMONTID:0002341","CHEMONTID:0000128","CHEMONTID:0001262","CHEMONTID:0001100","CHEMONTID:0000195","CHEMONTID:0001031","CHEMONTID:0004144","CHEMONTID:0001662","CHEMONTID:0002239","CHEMONTID:0000347","CHEMONTID:0004139","CHEMONTID:0001517","CHEMONTID:000415...
{"jp":1,"us":1}
null
InChI=1S/C12H22S4/c1-9(2)11(5)7-13-15-16-14-8-12(6)10(3)4/h7-8H2,1-6H3
AGQYZUAMDVUIML-UHFFFAOYSA-N
CC(C)=C(C)CSSSSCC(C)=C(C)C
C12H22S4
CC(=C(C)CSSSSCC(=C(C)C)C)C
1-(2,3-dimethylbut-2-enyltetrasulfanyl)-2,3-dimethylbut-2-ene
bis(2,3-dimethylbut-2-en-1-yl)tetrasulfane
{"alternativeparents":["CHEMONTID:0004150"],"class":"CHEMONTID:0003260","directparent":"CHEMONTID:0003260","intermediatenodes":[],"kingdom":"CHEMONTID:0000000","molecularframework":"Aliphatic acyclic compounds","substituents":["Sulfenyl compound","Hydrocarbon derivative","Aliphatic acyclic compound"],"superclass":"CHEM...
null
null
InChI=1S/C49H73N11O15S3/c1-25(2)19-34(44(69)59-38(24-78)48(73)57-35(21-27-8-12-29(62)13-9-27)45(70)60-37(23-77)47(72)55-33(49(74)75)15-17-40(64)65)56-43(68)32(14-16-39(52)63)54-46(71)36(22-76)58-42(67)31(5-3-4-18-50)53-41(66)30(51)20-26-6-10-28(61)11-7-26/h6-13,25,30-38,61-62,76-78H,3-5,14-24,50-51H2,1-2H3,(H2,52,63)(H...
AGRBEEPZKYBSJF-IWLMWFOOSA-N
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)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](CCC(O)=O)C(O)=O
C49H73N11O15S3
null
null
(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]pentanedioic acid
null
null
null
InChI=1S/C24H45IO3Si/c1-11-29(12-2,13-3)28-22(20(6)14-18(4)16-25)21(7)15-19(5)17-27-23(26)24(8,9)10/h15-16,20-22H,11-14,17H2,1-10H3/b18-16+,19-15+/t20-,21+,22-/m0/s1
AGRBOSGYVSGALB-DJESGUDKSA-N
CC[Si](CC)(CC)O[C@@H]([C@@H](C)C\C(C)=C\I)[C@H](C)\C=C(/C)COC(=O)C(C)(C)C
C24H45IO3Si
CC[Si](CC)(CC)OC(C(C)CC(C)=CI)C(C)C=C(C)COC(=O)C(C)(C)C
null
(2E,4R,5S,6S,8E)-9-iodo-2,4,6,8-tetramethyl-5-[(triethylsilyl)oxy]nona-2,8-dien-1-yl 2,2-dimethylpropanoate
null
null
null
InChI=1S/C20H13Cl2F9N4OS/c1-7(32-17(36)14-16(20(29,30)31)33-8(2)37-14)3-9-4-11(21)13(12(22)5-9)35-6-10(18(23,24)25)15(34-35)19(26,27)28/h4-7H,3H2,1-2H3,(H,32,36)
AGRCOSPLWIHJQI-UHFFFAOYSA-N
CC(CC1=CC(Cl)=C(N2C=C(C(=N2)C(F)(F)F)C(F)(F)F)C(Cl)=C1)NC(=O)C1=C(N=C(C)S1)C(F)(F)F
C20H13Cl2F9N4OS
null
null
N-(1-{4-[3,4-bis(trifluoromethyl)-1H-pyrazol-1-yl]-3,5-dichlorophenyl}propan-2-yl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
null
null
null
InChI=1S/C20H19ClF3N5/c1-10(27-25-3)13-6-5-7-14(18(13)24)17-11(2)28-29(4)20(17)26-19-15(22)8-12(21)9-16(19)23/h5-9,25-26H,1-4H3
AGRDDWCCAZRNJJ-UHFFFAOYSA-N
CNN=C(C)C1=CC=CC(C2=C(NC3=C(F)C=C(Cl)C=C3F)N(C)N=C2C)=C1F
C20H19ClF3N5
null
null
N-(4-chloro-2,6-difluorophenyl)-4-{2-fluoro-3-[1-(2-methylhydrazin-1-ylidene)ethyl]phenyl}-1,3-dimethyl-1H-pyrazol-5-amine
null
null
null
InChI=1S/C24H23ClF2N4O2/c25-17-3-1-16(2-4-17)22(14-32)31-23(33)20-13-29(12-15-9-18(26)11-19(27)10-15)7-5-21(20)30-8-6-28-24(30)31/h1-4,9-11,22,32H,5-8,12-14H2/t22-/m1/s1
AGRICDWQHQHIGV-JOCHJYFZSA-N
C1CN(CC2=C1N3CCN=C3N(C2=O)[C@H](CO)C4=CC=C(C=C4)Cl)CC5=CC(=CC(=C5)F)F
C24H23ClF2N4O2
C1CN(CC2=C1N3CCN=C3N(C2=O)C(CO)C4=CC=C(C=C4)Cl)CC5=CC(=CC(=C5)F)F
7-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-11-[(3,5-difluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-dien-8-one
7-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-11-[(3,5-difluorophenyl)methyl]-2,5,7,11-tetraazatricyclo[7.4.0.0²,⁶]trideca-1(9),5-dien-8-one
null
null
null
InChI=1S/C8H20O5SSi/c1-11-15(12-2,13-3)5-4-14-7-8(10)6-9/h8-10H,4-7H2,1-3H3
AGRIKDPFTNSMMO-UHFFFAOYSA-N
CO[Si](CCSCC(O)CO)(OC)OC
C8H20O5SSi
CO[Si](CCSCC(CO)O)(OC)OC
3-(2-trimethoxysilylethylsulfanyl)propane-1,2-diol
3-{[2-(trimethoxysilyl)ethyl]sulfanyl}propane-1,2-diol
{"intermediateNodes":["CHEMONTID:0003265"],"alternativeParents":["CHEMONTID:0003200","CHEMONTID:0001661","CHEMONTID:0002467","CHEMONTID:0003260","CHEMONTID:0004445","CHEMONTID:0003998","CHEMONTID:0003862","CHEMONTID:0000286","CHEMONTID:0004150"],"substituents":["Trialkoxysilane","1,2-diol","Secondary alcohol","Silyl et...
{"jp":1,"ca":1,"us":1}
null
InChI=1S/C80H78N4O2Si.Pt/c1-43(2)53-41-55-49-25-17-21-29-63(49)85-73(55)67(45(5)6)69(53)71-59-37-38-60-72(70-54(44(3)4)42-56-50-26-18-22-30-64(50)86-74(56)68(70)46(7)8)76-80(15,16)78(11,12)58-36-34-48(40-62(58)84(76)82-60)87(65-31-23-19-27-51(65)52-28-20-24-32-66(52)87)47-33-35-57-61(39-47)83(81-59)75(71)79(13,14)77(57...
AGRJCPWXIYSMQO-UHFFFAOYSA-N
CC(C)C1=C(C2=C3N4C5=[C-]6C(=CC=C5C(C)(C)C3(C)C)[Si]3(C5=CC=CC=C5C5=CC=CC=C35)C3=CC=C5C7=[C-]3[Pt++]63[N]4=C2CCC2=[N]3N7C(=C2C2=C(C=C3C(OC4=CC=CC=C34)=C2C(C)C)C(C)C)C(C)(C)C5(C)C)C(C(C)C)=C2OC3=CC=CC=C3C2=C1
C80H78N4O2PtSi
null
null
null
null
null
null
InChI=1S/C11H15NO.C8H8O3/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11;9-7(8(10)11)6-4-2-1-3-5-6/h3,5,7,10H,2,4,6,12H2,1H3;1-5,7,9H,(H,10,11)/t10-;7-/m11/s1
AGRJRKOMQPHFKT-DEZAYANASA-N
O[C@@H](C(O)=O)C1=CC=CC=C1.COC1=CC=C2CC[C@@H](N)CC2=C1
C19H23NO4
null
null
(2R)-2-hydroxy-2-phenylacetic acid; (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
null
null
null
InChI=1S/C23H22Cl2F2O2/c1-11-8-12(2)17(19-20(28)13(3)29-23(4,5)21(19)25)10-16(11)15-7-6-14(24)9-18(15)22(26)27/h6-10,13,22H,1-5H3
AGRNBUDLMDMPJA-UHFFFAOYSA-N
CC1OC(C)(C)C(Cl)=C(C1=O)C1=CC(=C(C)C=C1C)C1=C(C=C(Cl)C=C1)C(F)F
C23H22Cl2F2O2
null
null
5-chloro-4-[4'-chloro-2'-(difluoromethyl)-4,6-dimethyl-[1,1'-biphenyl]-3-yl]-2,6,6-trimethyl-3,6-dihydro-2H-pyran-3-one
null
null
null
InChI=1S/C115H170N28O30/c1-58(2)48-78(100(159)134-82(52-67-26-18-15-19-27-67)104(163)141-94(65(13)146)113(172)173)131-96(155)74(28-20-44-122-114(117)118)129-109(168)92(63(11)144)139-103(162)79(49-59(3)4)132-97(156)76(40-42-87(150)151)128-102(161)81(53-69-34-38-72(148)39-35-69)133-98(157)77(41-43-88(152)153)127-101(160)...
AGRNTNXNHPZGKO-DWIYJNDHSA-N
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=...
C115H170N28O30
null
null
(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-3-methylbutanamido]-3-(1H-imidazol-5-yl)propanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolid...
null
null
null
InChI=1S/C18H13F2N5O3/c1-28-14-3-2-9-15-13(6-22-17(9)24-14)23-18(27)25(15)7-10-11(19)4-8(16(21)26)5-12(10)20/h2-6H,7H2,1H3,(H2,21,26)(H,23,27)
AGRPRXJTRCYOOP-UHFFFAOYSA-N
COC1=NC2=NC=C3C(=C2C=C1)N(C(=O)N3)CC4=C(C=C(C=C4F)C(=O)N)F
C18H13F2N5O3
COC1=NC2=NC=C3C(=C2C=C1)N(C(=O)N3)CC4=C(C=C(C=C4F)C(=O)N)F
3,5-difluoro-4-[(7-methoxy-2-oxo-3H-imidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]benzamide
3,5-difluoro-4-({7-methoxy-2-oxo-1H,2H,3H-imidazo[4,5-c]1,8-naphthyridin-1-yl}methyl)benzamide
null
null
null
InChI=1S/C20H22ClFN2O2/c1-26-19-4-2-3-13(7-19)12-23-17-10-18(11-17)24-20(25)8-14-5-15(21)9-16(22)6-14/h2-7,9,17-18,23H,8,10-12H2,1H3,(H,24,25)/t17-,18-
AGRWGJIWKUVXGQ-IYARVYRRSA-N
COC1=CC=CC(CN[C@H]2C[C@@H](C2)NC(=O)CC2=CC(Cl)=CC(F)=C2)=C1
C20H22ClFN2O2
null
null
2-(3-chloro-5-fluorophenyl)-N-[(1r,3r)-3-{[(3-methoxyphenyl)methyl]amino}cyclobutyl]acetamide
null
null
null
InChI=1S/C16H18Cl2N6O/c1-5-23-15(19-21-22-23)16(2,3)24-9-12(25-4)14(20-24)13-10(17)7-6-8-11(13)18/h6-9H,5H2,1-4H3
AGRZLEKQMQNWGQ-UHFFFAOYSA-N
CCN1N=NN=C1C(C)(C)N1C=C(OC)C(=N1)C1=C(Cl)C=CC=C1Cl
C16H18Cl2N6O
null
null
5-{2-[3-(2,6-dichlorophenyl)-4-methoxy-1H-pyrazol-1-yl]propan-2-yl}-1-ethyl-1H-1,2,3,4-tetrazole
null
null
null
InChI=1S/C29H38N6O3/c1-20(2)15-25(27(36)33-38)35(17-22-8-5-13-31-16-22)28(37)29(11-6-12-29)26-18-34(19-32-26)14-10-23-21(3)7-4-9-24(23)30/h4-5,7-9,13,16,18-20,25,38H,6,10-12,14-15,17,30H2,1-3H3,(H,33,36)/t25-/m1/s1
AGSABLPREXIVIQ-RUZDIDTESA-N
CC(C)C[C@@H](N(CC1=CN=CC=C1)C(=O)C1(CCC1)C1=CN(CCC2=C(C)C=CC=C2N)C=N1)C(=O)NO
C29H38N6O3
null
null
(2R)-2-[1-(1-{1-[2-(2-amino-6-methylphenyl)ethyl]-1H-imidazol-4-yl}cyclobutyl)-N-[(pyridin-3-yl)methyl]formamido]-N-hydroxy-4-methylpentanamide
null
null
null
InChI=1S/C18H24Cl2N2O2/c1-6-21-17(23)16(22-24-5)10-13-9-12(7-8-14(13)19)15(20)11-18(2,3)4/h7-9,11H,6,10H2,1-5H3,(H,21,23)/b15-11+,22-16+
AGSBCYLMUKNIBE-AGBGGAJKSA-N
CCNC(=O)C(\CC1=CC(=CC=C1Cl)C(\Cl)=C/C(C)(C)C)=N\OC
C18H24Cl2N2O2
null
null
(2E)-3-{2-chloro-5-[(1E)-1-chloro-3,3-dimethylbut-1-en-1-yl]phenyl}-N-ethyl-2-(methoxyimino)propanamide
null
null
null
InChI=1S/C18H15ClO4S/c1-18(22)16(20)14-10-24-12(7-13(14)15(19)17(18)21)9-23-8-11-5-3-2-4-6-11/h2-7,10,22H,8-9H2,1H3
AGSBKBZAGAYIDE-UHFFFAOYSA-N
CC1(O)C(=O)C(Cl)=C2C=C(COCC3=CC=CC=C3)SC=C2C1=O
C18H15ClO4S
null
null
3-[(benzyloxy)methyl]-5-chloro-7-hydroxy-7-methyl-7,8-dihydro-6H-isothiochromene-6,8-dione
null
null
null
InChI=1S/C12H10BrN3O2/c13-8-3-1-2-7(6-8)9-10-14-4-5-16(10)11(15-9)12(17)18/h1-3,6,14H,4-5H2,(H,17,18)
AGSCHCHEZYRYPY-UHFFFAOYSA-N
C1CN2C(=C(N=C2C(=O)O)C3=CC(=CC=C3)Br)N1
C12H10BrN3O2
C1CN2C(=C(N=C2C(=O)O)C3=CC(=CC=C3)Br)N1
7-(3-bromophenyl)-2,3-dihydro-1H-imidazo[1,2-c]imidazole-5-carboxylic acid
7-(3-bromophenyl)-1H,2H,3H-imidazo[1,5-a][1,3]diazole-5-carboxylic acid
null
{"cn":1,"jp":1,"tw":1,"us":3,"wo":1}
null
InChI=1S/C48H33N3O/c1-48(2)40-21-10-9-17-36(40)37-19-11-18-35(44(37)48)31-25-23-30(24-26-31)34-27-28-41-39(29-34)43-38(20-12-22-42(43)52-41)47-50-45(32-13-5-3-6-14-32)49-46(51-47)33-15-7-4-8-16-33/h3-29H,1-2H3
AGSGRZXOYUDDHB-UHFFFAOYSA-N
CC1(C2=CC=CC=C2C3=CC=CC(=C31)C4=CC=C(C=C4)C5=CC6=C(C=C5)OC7=CC=CC(=C76)C8=NC(=NC(=N8)C9=CC=CC=C9)C1=CC=CC=C1)C
C48H33N3O
CC1(C2=CC=CC=C2C3=CC=CC(=C31)C4=CC=C(C=C4)C5=CC6=C(C=C5)OC7=CC=CC(=C76)C8=NC(=NC(=N8)C9=CC=CC=C9)C1=CC=CC=C1)C
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
2-{12-[4-(9,9-dimethyl-9H-fluoren-1-yl)phenyl]-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-3-yl}-4,6-diphenyl-1,3,5-triazine
null
null
null
InChI=1S/C45H79N15O17/c1-4-22(2)35(43(75)58-28(13-15-31(49)61)39(71)57-27(12-9-19-52-45(50)51)38(70)59-30(21-34(66)67)42(74)53-23(3)44(76)77)60-41(73)26(11-6-8-18-47)56-37(69)25(10-5-7-17-46)55-40(72)29(14-16-32(62)63)54-36(68)24(48)20-33(64)65/h22-30,35H,4-21,46-48H2,1-3H3,(H2,49,61)(H,53,74)(H,54,68)(H,55,72)(H,56,69...
AGSKMQSWHZJOTF-IIDGXPSSSA-N
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(O)=O
C45H79N15O17
null
null
(4S)-4-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}butyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-2-methylbutyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-4-[(2S)-2-amino-3-carboxypropanamido]butanoic acid
null
null
null
InChI=1S/C18H22O4/c1-4-10-9(3)8-21-17(10)13-15(19)12-11-6-7-18(5-2,22-11)14(12)16(13)20/h8,11-12,14,20H,4-7H2,1-3H3
AGSRTMBILGXFCP-UHFFFAOYSA-N
CCC1=C(OC=C1C)C1=C(O)C2C(C3CCC2(CC)O3)C1=O
C18H22O4
null
null
7-ethyl-4-(3-ethyl-4-methylfuran-2-yl)-5-hydroxy-10-oxatricyclo[5.2.1.0²,⁶]dec-4-en-3-one
null
null
null
InChI=1S/C28H35NO7/c1-28(2,33)12-11-20-21(30)17-22(31)23-24(32)27(35-16-15-29-13-5-4-6-14-29)25(36-26(20)23)18-7-9-19(34-3)10-8-18/h7-10,17,30-31,33H,4-6,11-16H2,1-3H3
AGSSGNJAHNIVJD-UHFFFAOYSA-N
CC(C)(CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)OCCN4CCCCC4)O
C28H35NO7
CC(C)(CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)OCCN4CCCCC4)O
5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one
5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)-3-[2-(piperidin-1-yl)ethoxy]-4H-chromen-4-one
{"alternativeParents":["CHEMONTID:0002596","CHEMONTID:0002992","CHEMONTID:0002993","CHEMONTID:0000144","CHEMONTID:0000138","CHEMONTID:0004742","CHEMONTID:0004113","CHEMONTID:0004646","CHEMONTID:0000128","CHEMONTID:0000481","CHEMONTID:0000195","CHEMONTID:0004144","CHEMONTID:0003889","CHEMONTID:0001670","CHEMONTID:000223...
{"cn":5,"ep":1,"jp":1,"us":1,"wo":1}
null
InChI=1S/C17H15BrCl2N6O2/c1-9(23-17(27)14-15(18)22-5-4-21-14)7-11-10(19)8-12(16(20)24-11)26-6-3-13(25-26)28-2/h3-6,8-9H,7H2,1-2H3,(H,23,27)
AGSWGCVLGVGMQO-UHFFFAOYSA-N
COC1=NN(C=C1)C1=C(Cl)N=C(CC(C)NC(=O)C2=NC=CN=C2Br)C(Cl)=C1
C17H15BrCl2N6O2
null
null
3-bromo-N-{1-[3,6-dichloro-5-(3-methoxy-1H-pyrazol-1-yl)pyridin-2-yl]propan-2-yl}pyrazine-2-carboxamide
null
null
null
InChI=1S/C25H45N7O10/c1-5-13(4)20(27)24(40)31-15(8-12(2)3)23(39)30-14(6-7-18(26)35)22(38)32-16(10-33)21(37)28-9-19(36)29-17(11-34)25(41)42/h12-17,20,33-34H,5-11,27H2,1-4H3,(H2,26,35)(H,28,37)(H,29,36)(H,30,39)(H,31,40)(H,32,38)(H,41,42)/t13-,14-,15-,16-,17-,20-/m0/s1
AGSWNBSNDJMFRX-QXKNQTRRSA-N
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(O)=O
C25H45N7O10
null
null
(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]acetamido}-3-hydroxypropanoic acid
null
null
null
InChI=1S/C19H15F6N3O3S/c1-3-32(30,31)17-15(26-14-6-4-5-9-28(14)17)27(2)16(29)12-8-7-11(10-13(12)20)18(21,22)19(23,24)25/h4-10H,3H2,1-2H3
AGTFGPBDMJROCZ-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=C2C=CC=CN12)N(C)C(=O)C1=C(F)C=C(C=C1)C(F)(F)C(F)(F)F
C19H15F6N3O3S
null
null
N-[3-(ethanesulfonyl)imidazo[1,2-a]pyridin-2-yl]-2-fluoro-N-methyl-4-(1,1,2,2,2-pentafluoroethyl)benzamide
null
null
null
InChI=1S/C13H20N4O2/c14-13(12-3-1-4-15-11-12)16-19-8-2-5-17-6-9-18-10-7-17/h1,3-4,11H,2,5-10H2,(H2,14,16)
AGTGHCHNQBZRFA-UHFFFAOYSA-N
C1COCCN1CCCO/N=C(/C2=CN=CC=C2)\N
C13H20N4O2
C1COCCN1CCCON=C(C2=CN=CC=C2)N
N'-(3-morpholin-4-ylpropoxy)pyridine-3-carboximidamide
N-[3-(morpholin-4-yl)propoxy]pyridine-3-carboximidamide
{"alternativeParents":["CHEMONTID:0000089","CHEMONTID:0004144","CHEMONTID:0002239","CHEMONTID:0004140","CHEMONTID:0001167","CHEMONTID:0004139","CHEMONTID:0000007","CHEMONTID:0004150"],"directParent":"CHEMONTID:0000392","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aromatic heteromonocyclic ...
{"ca":1,"de":1,"ep":1,"jp":2,"us":1}
null
InChI=1S/C32H29FN8O3/c1-32(2,3)44-31(43)39-16-6-9-23(19-39)40(29-27-20(13-15-36-29)7-4-8-21(27)18-34)30(42)24-12-11-22(17-25(24)33)41-28-26(37-38-41)10-5-14-35-28/h4-5,7-8,10-15,17,23H,6,9,16,19H2,1-3H3/t23-/m1/s1
AGTHMQWLWKPYDR-HSZRJFAPSA-N
CC(C)(C)OC(=O)N1CCC[C@H](C1)N(C2=NC=CC3=C2C(=CC=C3)C#N)C(=O)C4=C(C=C(C=C4)N5C6=C(C=CC=N6)N=N5)F
C32H29FN8O3
CC(C)(C)OC(=O)N1CCCC(C1)N(C2=NC=CC3=C2C(=CC=C3)C#N)C(=O)C4=C(C=C(C=C4)N5C6=C(C=CC=N6)N=N5)F
tert-butyl (3R)-3-[(8-cyanoisoquinolin-1-yl)-[2-fluoro-4-(triazolo[4,5-b]pyridin-3-yl)benzoyl]amino]piperidine-1-carboxylate
tert-butyl (3R)-3-[N-(8-cyanoisoquinolin-1-yl)2-fluoro-4-{3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl}benzamido]piperidine-1-carboxylate
null
null
null
InChI=1S/C19H12Cl2FN3O4/c1-2-5-29-18(26)7-12(11-3-4-15(20)16(21)6-11)13(8-23)14-9-24-10-17(19(14)22)25(27)28/h1,3-4,6,9-10,12-13H,5,7H2/t12-,13-/m1/s1
AGTJGRBORDIZFF-CHWSQXEVSA-N
FC1=C(C=NC=C1[C@H](C#N)[C@H](CC(=O)OCC#C)C1=CC(Cl)=C(Cl)C=C1)[N](=O)=O
C19H12Cl2FN3O4
null
null
prop-2-yn-1-yl (3S,4R)-4-cyano-3-(3,4-dichlorophenyl)-4-(4-fluoro-5-nitropyridin-3-yl)butanoate
null
null
null
InChI=1S/C49H83N11O18S/c1-23(2)17-28(50)40(68)59-39(27(8)62)47(75)56-32(20-38(66)67)44(72)57-33(19-25(5)6)48(76)60-15-10-11-35(60)46(74)51-21-36(63)53-29(12-13-37(64)65)41(69)55-31(18-24(3)4)43(71)54-30(14-16-79-9)42(70)58-34(22-61)45(73)52-26(7)49(77)78/h23-35,39,61-62H,10-22,50H2,1-9H3,(H,51,74)(H,52,73)(H,53,63)(H,5...
AGTJPSPDWACTPK-CNDQKZKHSA-N
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(O)=O
C49H83N11O18S
null
null
(4S)-4-(2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-methylpentanamido]-3-hydroxybutanamido]-3-carboxypropanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}acetamido)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]car...
null
null
null
InChI=1S/C19H15ClFN3O4S/c20-13-3-12(7-23-8-13)16(6-22)15(5-19(25)28-14-9-29-10-14)11-1-2-18(24(26)27)17(21)4-11/h1-4,7-8,14-16H,5,9-10H2/t15-,16-/m1/s1
AGTLZXNBDABPPM-MNSHXRSISA-N
FC1=C(C=CC(=C1)[C@@H](CC(=O)OC1CSC1)[C@H](C#N)C1=CN=CC(Cl)=C1)[N](=O)=O
C19H15ClFN3O4S
null
null
thietan-3-yl (3S,4S)-4-(5-chloropyridin-3-yl)-4-cyano-3-(3-fluoro-4-nitrophenyl)butanoate
null
null
null
InChI=1S/C11H18N2O2S/c1-4-13(5-2)11-12-9(8-16-11)7-10(14)15-6-3/h8H,4-7H2,1-3H3
AGTMMROACZKDMN-UHFFFAOYSA-N
CCOC(=O)CC1=CSC(=N1)N(CC)CC
C11H18N2O2S
CCOC(=O)CC1=CSC(=N1)N(CC)CC
ethyl 2-[2-(diethylamino)-1,3-thiazol-4-yl]acetate
ethyl 2-[2-(diethylamino)-1,3-thiazol-4-yl]acetate
null
null
null
InChI=1S/C8H9FN4/c9-7-3-1-6(2-4-7)8(10)5-12-13-11/h1-4,8H,5,10H2
AGTPODXIJUSHFA-UHFFFAOYSA-N
NC(CN=[N+]=[N-])C1=CC=C(F)C=C1
C8H9FN4
null
null
2-azido-1-(4-fluorophenyl)ethan-1-amine
null
null
null
InChI=1S/C33H41Cl2N3O4/c1-33(2,3)42-32(40)11-7-5-4-6-8-17-41-29-15-13-24(28-22-38-16-9-10-30(38)37-28)20-25(29)21-36-31(39)19-23-12-14-26(34)27(35)18-23/h12-15,18,20,22H,4-11,16-17,19,21H2,1-3H3,(H,36,39)
AGTPWKIWMBSPAQ-UHFFFAOYSA-N
CC(C)(C)OC(=O)CCCCCCCOC1=C(C=C(C=C1)C2=CN3CCCC3=N2)CNC(=O)CC4=CC(=C(C=C4)Cl)Cl
C33H41Cl2N3O4
CC(C)(C)OC(=O)CCCCCCCOC1=C(C=C(C=C1)C2=CN3CCCC3=N2)CNC(=O)CC4=CC(=C(C=C4)Cl)Cl
tert-butyl 8-[2-[[[2-(3,4-dichlorophenyl)acetyl]amino]methyl]-4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]octanoate
tert-butyl 8-(2-{[2-(3,4-dichlorophenyl)acetamido]methyl}-4-{5H,6H,7H-pyrrolo[1,2-a]imidazol-2-yl}phenoxy)octanoate
null
null
null
InChI=1S/C29H35Cl2F3N4O6S/c1-5-45(42,43)24-7-6-20(30)12-19(24)15-35-26(40)18-13-22(29(32,33)34)21(23(31)14-18)17-37-8-10-38(11-9-37)25(39)16-36-27(41)44-28(2,3)4/h6-7,12-14H,5,8-11,15-17H2,1-4H3,(H,35,40)(H,36,41)
AGTVFOIKXQMOFH-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(CNC(=O)C2=CC(=C(CN3CCN(CC3)C(=O)CNC(=O)OC(C)(C)C)C(Cl)=C2)C(F)(F)F)C=C(Cl)C=C1
C29H35Cl2F3N4O6S
CCS(=O)(=O)C1=C(C=C(C=C1)Cl)CNC(=O)C2=CC(=C(C(=C2)Cl)CN3CCN(CC3)C(=O)CNC(=O)OC(C)(C)C)C(F)(F)F
tert-butyl N-[2-[4-[[2-chloro-4-[(5-chloro-2-ethylsulfonylphenyl)methylcarbamoyl]-6-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]carbamate
tert-butyl N-[2-(4-{[2-chloro-4-({[5-chloro-2-(ethanesulfonyl)phenyl]methyl}carbamoyl)-6-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)-2-oxoethyl]carbamate
{"intermediateNodes":["CHEMONTID:0000178"],"alternativeParents":["CHEMONTID:0002309","CHEMONTID:0004551","CHEMONTID:0003099","CHEMONTID:0004233","CHEMONTID:0000185","CHEMONTID:0002673","CHEMONTID:0000321","CHEMONTID:0003899","CHEMONTID:0003357","CHEMONTID:0001099","CHEMONTID:0001030","CHEMONTID:0001664","CHEMONTID:0000...
{"cn":1,"us":1}
null
InChI=1S/C28H34O2/c1-2-30-26(29)13-10-20-8-11-25(12-9-20)27(24-6-4-3-5-7-24)28-17-21-14-22(18-28)16-23(15-21)19-28/h3-9,11-12,21-23,27H,2,10,13-19H2,1H3
AGTVHHYKLVRSDM-UHFFFAOYSA-N
CCOC(=O)CCC1=CC=C(C=C1)C(C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4
C28H34O2
CCOC(=O)CCC1=CC=C(C=C1)C(C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4
ethyl 3-[4-[1-adamantyl(phenyl)methyl]phenyl]propanoate
ethyl 3-{4-[(adamantan-1-yl)(phenyl)methyl]phenyl}propanoate
{"alternativeParents":["CHEMONTID:0000051","CHEMONTID:0000324","CHEMONTID:0001238","CHEMONTID:0001137","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"CHEMONTID:0000369","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aromatic homopolycyclic compounds","subclass":...
null
null
InChI=1S/C48H30N2O3S/c1-48(2)37-24-29(22-23-30(37)34-25-35-36(26-38(34)48)46(52)32-11-4-3-10-31(32)45(35)51)50(40-14-9-16-42-44(40)33-12-5-7-15-41(33)53-42)28-20-18-27(19-21-28)47-49-39-13-6-8-17-43(39)54-47/h3-26H,1-2H3
AGTVIAHCXLJOKR-UHFFFAOYSA-N
CC1(C)C2=CC(=CC=C2C2=CC3=C(C=C12)C(=O)C1=CC=CC=C1C3=O)N(C1=CC=C(C=C1)C1=NC2=CC=CC=C2S1)C1=C2C(OC3=CC=CC=C23)=CC=C1
C48H30N2O3S
CC1(C)C2=CC(=CC=C2C2=CC3=C(C=C12)C(=O)C1=CC=CC=C1C3=O)N(C1=CC=C(C=C1)C1=NC2=CC=CC=C2S1)C1=C2C(OC3=CC=CC=C23)=CC=C1
null
2-{[4-(1,3-benzothiazol-2-yl)phenyl]({8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-3-yl})amino}-13,13-dimethyl-6H,11H,13H-indeno[1,2-b]anthracene-6,11-dione
null
null
null
InChI=1S/C24H30ClNS2/c1-6-17(2)15-20(5)28-24(26-22-10-8-7-9-19(22)4)13-14-27-23-16-18(3)11-12-21(23)25/h7-14,16-17,20H,6,15H2,1-5H3/b14-13+,26-24?
AGTWTCJTORYTAN-SCIIGEQRSA-N
CCC(C)CC(C)SC(\C=C\SC1=C(Cl)C=CC(C)=C1)=NC1=C(C)C=CC=C1
C24H30ClNS2
null
null
(2E)-3-[(2-chloro-5-methylphenyl)sulfanyl]-1-[(4-methylhexan-2-yl)sulfanyl]-N-(2-methylphenyl)prop-2-en-1-imine
null
null
null
InChI=1S/C12H13F8N3O2S3/c1-9(7(24)21-2,26-4-3-10(13,14)11(15,16)17)5-6-22-8(27-23-6)28(25)12(18,19)20/h3-5H2,1-2H3,(H,21,24)
AGTXXLNAUMKTJQ-UHFFFAOYSA-N
CNC(=O)C(C)(CC1=NSC(=N1)[S](=O)C(F)(F)F)SCCC(F)(F)C(F)(F)F
C12H13F8N3O2S3
CNC(=O)C(C)(CC1=NSC(=N1)S(=O)C(F)(F)F)SCCC(F)(F)C(F)(F)F
null
N,2-dimethyl-2-[(3,3,4,4,4-pentafluorobutyl)sulfanyl]-3-(5-trifluoromethanesulfinyl-1,2,4-thiadiazol-3-yl)propanamide
null
null
null
InChI=1S/C33H38N4O8/c1-20(34-26(31(43)44)18-11-21-7-5-4-6-8-21)28(39)37-33(2,3)32(45)36-27(19-22-9-16-25(38)17-10-22)29(40)35-24-14-12-23(13-15-24)30(41)42/h4-10,12-17,20,26-27,34,38H,11,18-19H2,1-3H3,(H,35,40)(H,36,45)(H,37,39)(H,41,42)(H,43,44)/t20-,26+,27-/m0/s1
AGTYWIRSICTSSU-BAURHKQJSA-N
C[C@H](N[C@H](CCC1=CC=CC=C1)C(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)NC1=CC=C(C=C1)C(O)=O
C33H38N4O8
CC(NC(CCC1=CC=CC=C1)C(O)=O)C(=O)NC(C)(C)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC1=CC=C(C=C1)C(O)=O
null
4-[(2S)-2-{2-[(2S)-2-{[(1R)-1-carboxy-3-phenylpropyl]amino}propanamido]-2-methylpropanamido}-3-(4-hydroxyphenyl)propanamido]benzoic acid
null
null
null
InChI=1S/C18H13ClFN3O2S/c1-9-5-11(20)3-4-12(9)15-16-18(25-8-24-16)23-17(22-15)13-6-10(19)7-14(21-13)26-2/h3-7H,8H2,1-2H3
AGTZWEHVUMSERC-UHFFFAOYSA-N
CSC1=NC(=CC(Cl)=C1)C1=NC(=C2OCOC2=N1)C1=C(C)C=C(F)C=C1
C18H13ClFN3O2S
null
null
4-chloro-2-[7-(4-fluoro-2-methylphenyl)-2H-[1,3]dioxolo[4,5-d]pyrimidin-5-yl]-6-(methylsulfanyl)pyridine
null
null
null
InChI=1S/C21H32O2/c1-3-20(22)9-6-15-14-10-17-21-11-13(21)4-8-19(21,12-23-17)16(14)5-7-18(15,20)2/h13-17,22H,3-12H2,1-2H3/t13-,14+,15+,16+,17-,18+,19+,20+,21+/m1/s1
AGTZYCCHJLIHIS-SIBJXCBRSA-N
[H][C@@]12C[C@@]11[C@@]3([H])C[C@@]4([H])[C@]5([H])CC[C@@](O)(CC)[C@@]5(C)CC[C@]4([H])[C@]1(CC2)CO3
C21H32O2
[H]C12CC11C3([H])CC4([H])C5([H])CCC(O)(CC)C5(C)CCC4([H])C1(CC2)CO3
null
(1S,2S,5S,6S,9S,10R,12R,13R,15R)-6-ethyl-5-methyl-19-oxahexacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁵,⁹.0¹³,¹⁵]nonadecan-6-ol
null
null
null
InChI=1S/C56H34N4/c1-4-16-35(17-5-1)39-33-45(54-46(34-39)53(36-18-6-2-7-19-36)57-56(58-54)37-20-8-3-9-21-37)38-22-12-23-40(32-38)59-48-29-14-25-42-44-27-13-26-43-41-24-10-11-28-47(41)60(55(43)44)50-31-15-30-49(59)52(50)51(42)48/h1-34H
AGUDGNVZLCCDMY-UHFFFAOYSA-N
C1=CC=C(C=C1)C1=CC2=C(N=C(N=C2C2=CC=CC=C2)C2=CC=CC=C2)C(=C1)C1=CC=CC(=C1)N1C2=C3C4=C1C=CC=C4C1=CC=CC4=C1N(C1=CC=CC=C41)C3=CC=C2
C56H34N4
null
null
26-[3-(2,4,6-triphenylquinazolin-8-yl)phenyl]-14,26-diazaheptacyclo[12.10.1.1⁶,⁹.0²,⁷.0⁸,¹³.0¹⁵,²⁰.0²¹,²⁵]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
null
null
null
InChI=1S/C65H47NO/c1-64(2,3)45-32-35-53-51-24-10-13-29-58(51)65(60(53)39-45)59-30-14-11-25-52(59)54-37-34-48(41-61(54)65)66(47-33-36-49(42-18-6-4-7-19-42)57(40-47)43-20-8-5-9-21-43)46-23-16-22-44(38-46)50-27-17-28-56-55-26-12-15-31-62(55)67-63(50)56/h4-41H,1-3H3
AGUFEHRSXAVYNM-UHFFFAOYSA-N
CC(C)(C)C1=CC=C2C3=CC=CC=C3C3(C4=CC=CC=C4C4=CC=C(C=C34)N(C3=CC(=CC=C3)C3=C4OC5=CC=CC=C5C4=CC=C3)C3=CC(C4=CC=CC=C4)=C(C=C3)C3=CC=CC=C3)C2=C1
C65H47NO
null
null
2'-tert-butyl-N-(3-{8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-6-yl}phenyl)-N-{2-phenyl-[1,1'-biphenyl]-4-yl}-9,9'-spirobi[fluoren]-2-amine
null
null
null
InChI=1S/C18H13ClF2N6O3S/c1-26-18(28)27(25-24-26)12-5-3-4-11(20)10(12)8-30-13-7-6-9(15(21)22-13)17-23-16(29-2)14(19)31-17/h3-7H,8H2,1-2H3
AGUFHGQJKISFBC-UHFFFAOYSA-N
COC1=C(Cl)SC(=N1)C1=CC=C(OCC2=C(C=CC=C2F)N2N=NN(C)C2=O)N=C1F
C18H13ClF2N6O3S
null
null
1-[2-({[5-(5-chloro-4-methoxy-1,3-thiazol-2-yl)-6-fluoropyridin-2-yl]oxy}methyl)-3-fluorophenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C58H97N3O17/c1-19-42-58(12,69)50(64)37(8)61(16)29-32(3)27-56(10,68)52(35(6)48(36(7)53(66)76-42)77-44-28-57(11,71-18)51(65)38(9)75-44)78-55-46(59(13)14)41(26-33(4)74-55)60(15)24-25-72-43(62)23-21-31(2)20-22-39-47(63)45-40(30-73-54(45)67)34(5)49(39)70-17/h20,32-33,35-38,41-42,44,46,48,50-52,55,63-65,68-69H,19,21...
AGUHRCIZQMCESS-MNORSQHKSA-N
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@H]([C@@H](C[C@H](O3)C)N(C)CCOC(=O)CC/C(=C/CC4=C(C(=C5COC(=O)C5=C4O)C)OC)/C)N(C)C)(C)O)C)C)C)O)(C)O
C58H97N3O17
CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)CCOC(=O)CCC(=CCC4=C(C(=C5COC(=O)C5=C4O)C)OC)C)N(C)C)(C)O)C)C)C)O)(C)O
2-[[(2S,3S,4R,6R)-3-(dimethylamino)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyloxan-4-yl]-methylamino]ethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H...
2-{[(2S,3S,4R,6R)-3-(dimethylamino)-2-{[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl]oxy}-6-methyloxan-4-yl](methyl)amino}ethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-...
{"intermediateNodes":["CHEMONTID:0003305"],"alternativeParents":["CHEMONTID:0002207","CHEMONTID:0001873","CHEMONTID:0001986","CHEMONTID:0000138","CHEMONTID:0000128","CHEMONTID:0000324","CHEMONTID:0001540","CHEMONTID:0002012","CHEMONTID:0003889","CHEMONTID:0001670","CHEMONTID:0000347","CHEMONTID:0002239","CHEMONTID:0001...
{"us":4}
null
InChI=1S/C21H26O5/c1-7-13-9-14(8-2)19(21(22)26-6)16(10-13)15-11-17(23-3)20(25-5)18(12-15)24-4/h9-12H,7-8H2,1-6H3
AGUIQYISUIRFFL-UHFFFAOYSA-N
CCC1=CC(C2=CC(OC)=C(OC)C(OC)=C2)=C(C(=O)OC)C(CC)=C1
C21H26O5
CCC1=CC(C2=CC(OC)=C(OC)C(OC)=C2)=C(C(=O)OC)C(CC)=C1
null
methyl 3,5-diethyl-3',4',5'-trimethoxy-[1,1'-biphenyl]-2-carboxylate
null
null
null
InChI=1S/C90H136N22O30/c1-7-44(3)70(108-74(125)53(93)38-66(94)120)86(137)104-61(37-50-24-28-52(119)29-25-50)89(140)112-34-16-21-65(112)85(136)106-62(41-113)82(133)105-63(42-114)83(134)109-71(45(4)8-2)87(138)107-64(43-115)84(135)110-72(46(5)116)88(139)103-60(40-68(96)122)81(132)101-58(36-49-22-26-51(118)27-23-49)79(130)...
AGUOABHRMFQWGV-SZPVLHDCSA-N
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C...
C90H136N22O30
null
null
(4S)-4-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}pentyl]carbamoyl}-2-phenylethyl]carbamoyl}pentyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-methylpentanamido]-3-(4-...
null
null
null
InChI=1S/C21H20BrN3O5/c1-30-17-7-3-2-6-16(17)18(22)19(21(27)24-12-4-5-13-24)23-20(26)14-8-10-15(11-9-14)25(28)29/h2-3,6-11H,4-5,12-13H2,1H3,(H,23,26)
AGUPKCOOTBHNHP-UHFFFAOYSA-N
COC1=CC=CC=C1C(=C(C(=O)N2CCCC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br
C21H20BrN3O5
COC1=CC=CC=C1C(=C(C(=O)N2CCCC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br
N-[1-bromo-1-(2-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide
N-[1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-2-yl]-4-nitrobenzamide
{"alternativeParents":["CHEMONTID:0001189","CHEMONTID:0000059","CHEMONTID:0002309","CHEMONTID:0000036","CHEMONTID:0004113","CHEMONTID:0003023","CHEMONTID:0004612","CHEMONTID:0000321","CHEMONTID:0000138","CHEMONTID:0004742","CHEMONTID:0000128","CHEMONTID:0001664","CHEMONTID:0003888","CHEMONTID:0001663","CHEMONTID:000413...
{"wo":1}
null
InChI=1S/C17H9F3N4O4/c18-17(19,20)28-11-5-6-14-12(7-11)15-13(8-21-14)16(25)23(22-15)9-1-3-10(4-2-9)24(26)27/h1-8,21H
AGURMGXAQQKYHO-UHFFFAOYSA-N
FC(F)(F)OC1=CC=C2NC=C3C(=O)N(N=C3C2=C1)C1=CC=C(C=C1)[N](=O)=O
C17H9F3N4O4
null
null
2-(4-nitrophenyl)-8-(trifluoromethoxy)-2H,3H,5H-pyrazolo[4,3-c]quinolin-3-one
null
null
null
InChI=1S/C6H10O4/c1-4-9-3-2-5(10-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5-/m0/s1
AGUWJLDAYXVSBT-WHFBIAKZSA-N
C[C@H]1OCC[C@H](O1)C(=O)O
C6H10O4
CC1OCCC(O1)C(=O)O
(2S,4S)-2-methyl-1,3-dioxane-4-carboxylic acid
(2S,4S)-2-methyl-1,3-dioxane-4-carboxylic acid
{"alternativeParents":["CHEMONTID:0004140","CHEMONTID:0001137","CHEMONTID:0001205","CHEMONTID:0001656","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"CHEMONTID:0001314","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aliphatic heteromonocyclic compounds","subclas...
null
null
InChI=1S/C15H10ClF4N3O4/c1-6-11(15(18,19)20)22(2)14(27)23(13(6)26)12-8(17)5-7(16)9(21-12)3-4-10(24)25/h3-5H,1-2H3,(H,24,25)/b4-3-
AGUWSQXPZYMXIW-ARJAWSKDSA-N
CN1C(=O)N(C(=O)C(C)=C1C(F)(F)F)C1=C(F)C=C(Cl)C(\C=C/C(O)=O)=N1
C15H10ClF4N3O4
null
null
(2Z)-3-{3-chloro-6-[3,5-dimethyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]-5-fluoropyridin-2-yl}prop-2-enoic acid
null
null
null
InChI=1S/C16H6F8N8O2/c17-5-3(6(18)10(22)13(9(5)21)29-31-25)15(33)27-1-2-28-16(34)4-7(19)11(23)14(30-32-26)12(24)8(4)20/h1-2H2,(H,27,33)(H,28,34)
AGUWZRVPENQEFB-UHFFFAOYSA-N
C(CNC(=O)C1=C(C(=C(C(=C1F)F)N=[N+]=[N-])F)F)NC(=O)C2=C(C(=C(C(=C2F)F)N=[N+]=[N-])F)F
C16H6F8N8O2
C(CNC(=O)C1=C(C(=C(C(=C1F)F)N=[N+]=[N-])F)F)NC(=O)C2=C(C(=C(C(=C2F)F)N=[N+]=[N-])F)F
4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]ethyl]-2,3,5,6-tetrafluorobenzamide
4-azido-N-{2-[(4-azido-2,3,5,6-tetrafluorophenyl)formamido]ethyl}-2,3,5,6-tetrafluorobenzamide
null
{"us":1}
null
InChI=1S/C18H21ClN4O3S/c1-4-22-10-23(17-16(27(20,25)26)6-5-7-21-17)18(24)13-8-14(19)12(11(2)3)9-15(13)22/h5-9,11H,4,10H2,1-3H3,(H2,20,25,26)
AGVDASWGWKGFJZ-UHFFFAOYSA-N
CCN1CN(C(=O)C2=CC(Cl)=C(C=C12)C(C)C)C1=C(C=CC=N1)[S](N)(=O)=O
C18H21ClN4O3S
null
null
2-[6-chloro-1-ethyl-4-oxo-7-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-3-yl]pyridine-3-sulfonamide
null
null
null
InChI=1S/C43H65N11O14/c1-7-22(5)35(41(65)50-29(43(67)68)15-33(59)60)53-32(58)18-47-40(64)34(21(3)4)52-31(57)17-46-38(62)30(19-55)51-42(66)36(23(6)8-2)54-39(63)28(14-25-16-45-20-48-25)49-37(61)27(44)13-24-9-11-26(56)12-10-24/h9-12,16,20-23,27-30,34-36,55-56H,7-8,13-15,17-19,44H2,1-6H3,(H,45,48)(H,46,62)(H,47,64)(H,49,61...
AGVFLUJWROFZJA-CZUZOAHRSA-N
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
C43H65N11O14
null
null
(2S)-2-[(2S,3S)-2-{2-[(2S)-2-{2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-5-yl)propanamido]-3-methylpentanamido]-3-hydroxypropanamido]acetamido}-3-methylbutanamido]acetamido}-3-methylpentanamido]butanedioic acid
null
null
null
InChI=1S/C29H31ClN6O3/c1-6-8-14-35-28(20-12-13-20)19(4)27(31-35)21-15-18(3)26(16-23(21)30)39-17-22-24(10-9-11-25(22)38-7-2)36-29(37)34(5)32-33-36/h9-11,15-16,20H,7,12-14,17H2,1-5H3
AGVKPPDASCFSAZ-UHFFFAOYSA-N
CCOC1=CC=CC(N2N=NN(C)C2=O)=C1COC1=CC(Cl)=C(C=C1C)C1=NN(CC#CC)C(C2CC2)=C1C
C29H31ClN6O3
null
null
1-[2-({4-[1-(but-2-yn-1-yl)-5-cyclopropyl-4-methyl-1H-pyrazol-3-yl]-5-chloro-2-methylphenoxy}methyl)-3-ethoxyphenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C6H13N3.ClH/c7-6(8)9-4-2-1-3-5-9;/h1-5H2,(H3,7,8);1H
AGVOIHMRBFEGBE-UHFFFAOYSA-N
C1CCN(CC1)C(=N)N.Cl
C6H14ClN3
C1CCN(CC1)C(=N)N.Cl
piperidine-1-carboximidamide;hydrochloride
piperidine-1-carboximidamide hydrochloride
{"alternativeParents":["CHEMONTID:0000375","CHEMONTID:0003152","CHEMONTID:0004139","CHEMONTID:0000117","CHEMONTID:0003921","CHEMONTID:0004150"],"directParent":"CHEMONTID:0000195","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aliphatic heteromonocyclic compounds","substituents":["Piperidine"...
{"ca":1,"cn":1,"ep":1,"in":1,"us":2,"wo":3}
null
InChI=1S/C19H19F5N8OS/c1-10-6-5-7-15(31-18(33)30(4)28-29-31)13(10)9-34-17(16(20)21)26-25-12(3)14-8-11(2)32(27-14)19(22,23)24/h5-8,16H,9H2,1-4H3
AGVOMOHYYDJKPR-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(CSC(=NN=C(C)C2=NN(C(C)=C2)C(F)(F)F)C(F)F)C(C)=CC=C1
C19H19F5N8OS
null
null
1-[2-({[2,2-difluoro-1-(2-{1-[5-methyl-1-(trifluoromethyl)-1H-pyrazol-3-yl]ethylidene}hydrazin-1-ylidene)ethyl]sulfanyl}methyl)-3-methylphenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C46H52N2O10/c1-4-25-47(29-32-17-21-36(22-18-32)57-34-13-9-7-10-14-34)45(53)43-38(27-40(49)50)39(28-42(52)56-31-55-41(51)6-3)44(43)46(54)48(26-5-2)30-33-19-23-37(24-20-33)58-35-15-11-8-12-16-35/h7-24,38-39,43-44H,4-6,25-31H2,1-3H3,(H,49,50)/t38-,39-,43-,44-/m0/s1
AGVQHBQMVAVRHR-YXSPLLJDSA-N
CCCN(CC1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[C@H]1[C@@H](CC(O)=O)[C@H](CC(=O)OCOC(=O)CC)[C@@H]1C(=O)N(CCC)CC1=CC=C(OC2=CC=CC=C2)C=C1
C46H52N2O10
null
null
2-[(1S,2S,3S,4S)-2-{2-oxo-2-[(propanoyloxy)methoxy]ethyl}-3,4-bis({[(4-phenoxyphenyl)methyl](propyl)carbamoyl})cyclobutyl]acetic acid
null
null
null
InChI=1S/C9H12N4O4/c1-8(2,3)17-7(16)9(12-13-10)4-5(14)11-6(9)15/h4H2,1-3H3,(H,11,14,15)/t9-/m0/s1
AGVXCMRDHNXBEA-VIFPVBQESA-N
CC(C)(C)OC(=O)[C@@]1(CC(=O)NC1=O)N=[N+]=[N-]
C9H12N4O4
null
null
tert-butyl (3S)-3-azido-2,5-dioxopyrrolidine-3-carboxylate
null
null
null
InChI=1S/C46H28N4/c1-2-6-29(7-3-1)30-10-12-31(13-11-30)36-18-21-39-37(26-36)27-38(41-22-19-34-16-14-32-8-4-24-47-43(32)45(34)49-41)28-40(39)42-23-20-35-17-15-33-9-5-25-48-44(33)46(35)50-42/h1-28H
AGVZSGAAECYGBB-UHFFFAOYSA-N
C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC2=C(C=C1)C(=CC(=C2)C1=NC2=C3N=CC=CC3=CC=C2C=C1)C1=NC2=C3N=CC=CC3=CC=C2C=C1
C46H28N4
C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC2=C(C=C1)C(=CC(=C2)C1=NC2=C3N=CC=CC3=CC=C2C=C1)C1=NC2=C3N=CC=CC3=CC=C2C=C1
null
2-(7-{[1,1'-biphenyl]-4-yl}-4-(1,10-phenanthrolin-2-yl)naphthalen-2-yl)-1,10-phenanthroline
null
null
null
InChI=1S/C12H22N/c1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13/h9-12H,3-8H2,1-2H3/q+1
AGWBNBSIPAZCPN-UHFFFAOYSA-N
CC(C)[N+]12CC3CC(CC(C3)C1)C2
C12H22N
CC(C)[N+]12CC3CC(CC(C3)C1)C2
null
1-(propan-2-yl)-1-azatricyclo[3.3.1.1³,⁷]decan-1-ium
null
null
null
InChI=1S/C15H15N3O/c1-2-10-13(9-7-8-9)17-15-16-11-5-3-4-6-12(11)18(15)14(10)19/h3-6,9H,2,7-8H2,1H3,(H,16,17)
AGWGJTFHIXVCQL-UHFFFAOYSA-N
CCC1=C(NC2=NC3=CC=CC=C3N2C1=O)C4CC4
C15H15N3O
CCC1=C(NC2=NC3=CC=CC=C3N2C1=O)C4CC4
2-cyclopropyl-3-ethyl-1H-pyrimido[1,2-a]benzimidazol-4-one
11-cyclopropyl-12-ethyl-1,8,10-triazatricyclo[7.4.0.0²,⁷]trideca-2,4,6,9,11-pentaen-13-one
null
null
null
InChI=1S/3C19H16NO2P.Gd.3NO3/c3*21-19(16-10-4-1-5-11-16)20-23(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;3*2-1(3)4/h3*1-15H,(H,20,21,22);;;;/q;;;+3;3*-1
AGWJXNDDVXKICI-UHFFFAOYSA-N
[Gd+3]123([O-][N](=O)=[O]1)([O-][N](=O)=[O]2)([O-][N](=O)=[O]3)([O]=[P](NC(=O)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)([O]=[P](NC(=O)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)[O]=[P](NC(=O)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C57H48GdN6O15P3
null
null
4,4,4-tris({[diphenyl(phenylformamido)-λ⁵-phosphanylidene]oxo})-2,6,9-trioxo-1λ³-oxa-3λ³-oxa-5λ³-oxa-7λ³-oxa-8λ³-oxa-10λ³-oxa-2λ⁵,6λ⁵,9λ⁵-triaza-4-gadolinaspiro[3.3⁴.3⁴]deca-2,6,9-triene-4,4,4-tris(ylium)-1,5,8-triide
null
null
null
InChI=1S/C21H18N4O6/c26-20-9-5-4-8-16(20)18(13-21(27)14-6-2-1-3-7-14)23-22-17-11-10-15(24(28)29)12-19(17)25(30)31/h1-12,18,22-23,26H,13H2
AGWNQENVTOXGIL-UHFFFAOYSA-N
OC1=C(C=CC=C1)C(CC(=O)C1=CC=CC=C1)NNC1=C(C=C(C=C1)[N](=O)=O)[N](=O)=O
C21H18N4O6
null
null
3-[2-(2,4-dinitrophenyl)hydrazin-1-yl]-3-(2-hydroxyphenyl)-1-phenylpropan-1-one
null
null
null
InChI=1S/C19H16F6N4O4S/c1-31-13-5-10(29-8-11(7-28-29)33-19(23,24)25)6-14(32-2)12(13)3-4-26-17(30)15-16(18(20,21)22)27-9-34-15/h5-9H,3-4H2,1-2H3,(H,26,30)
AGWQQRZSFUVUEN-UHFFFAOYSA-N
COC1=CC(=CC(OC)=C1CCNC(=O)C1=C(N=CS1)C(F)(F)F)N1C=C(OC(F)(F)F)C=N1
C19H16F6N4O4S
null
null
N-(2-{2,6-dimethoxy-4-[4-(trifluoromethoxy)-1H-pyrazol-1-yl]phenyl}ethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
null
null
null
InChI=1S/C20H22N2O4S/c1-15(16(2)21-17-7-5-4-6-8-17)13-14-27(24,25)19-11-9-18(10-12-19)22-20(23)26-3/h4-13H,14H2,1-3H3,(H,22,23)
AGWSNHVAMDLUKQ-UHFFFAOYSA-N
COC(=O)NC1=CC=C(C=C1)[S](=O)(=O)CC=C(C)C(C)=NC1=CC=CC=C1
C20H22N2O4S
null
null
methyl N-{4-[3-methyl-4-(phenylimino)pent-2-ene-1-sulfonyl]phenyl}carbamate
null
null
null
InChI=1S/C18H14N2/c1-13-12-15-10-9-14-6-2-3-7-16(14)18(15)20(13)17-8-4-5-11-19-17/h2-12H,1H3
AGWVCKYGISLTFH-UHFFFAOYSA-N
CC1=CC2=C(N1C1=CC=CC=N1)C1=CC=CC=C1C=C2
C18H14N2
null
null
2-{2-methyl-1H-benzo[g]indol-1-yl}pyridine
null
null
null
InChI=1S/C37H70N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(41)38-37(43)34-31-33(40)32-39(34)36(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,40H,3-32H2,1-2H3,(H,38,41,43)/t33-,34+/m1/s1
AGWYTYXGMTUREG-NOCHOARKSA-N
CCCCCCCCCCCCCCCC(=O)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCCCCCCCCCCCCC
C37H70N2O4
null
null
(2S,4R)-N,1-dihexadecanoyl-4-hydroxypyrrolidine-2-carboxamide
null
null
null
InChI=1S/C17H15F6NO2S2/c1-2-5-28(25,26)15-9-24-4-3-10(15)6-12(18)16-13(19)7-11(8-14(16)20)27-17(21,22)23/h3-4,7-9,12H,2,5-6H2,1H3
AGWYVKCFJKBRCS-UHFFFAOYSA-N
CCC[S](=O)(=O)C1=CN=CC=C1CC(F)C1=C(F)C=C(SC(F)(F)F)C=C1F
C17H15F6NO2S2
null
null
4-(2-{2,6-difluoro-4-[(trifluoromethyl)sulfanyl]phenyl}-2-fluoroethyl)-3-(propane-1-sulfonyl)pyridine
null
null
null
InChI=1S/C18H16F4N2O4S/c1-11(15-14-6-4-3-5-13(14)12(9-23)10-24-15)18(22,16(25)28-2)29(26,27)8-7-17(19,20)21/h3-6,10-11H,7-8H2,1-2H3
AGWZLXIWTYGOGG-UHFFFAOYSA-N
COC(=O)C(F)(C(C)C1=NC=C(C#N)C2=C1C=CC=C2)[S](=O)(=O)CCC(F)(F)F
C18H16F4N2O4S
null
null
methyl 3-(4-cyanoisoquinolin-1-yl)-2-fluoro-2-(3,3,3-trifluoropropanesulfonyl)butanoate
null
null
null
InChI=1S/C25H21Cl2F7N4O4S/c1-11(10-43(3,41)42)35-23(40)21-13(5-4-6-15(21)26)22(39)36-18-8-17(28)14(7-16(18)27)12(2)38-20(25(32,33)34)9-19(37-38)24(29,30)31/h4-9,11-12H,10H2,1-3H3,(H,35,40)(H,36,39)/t11-,12?/m0/s1
AGXABBKUDFCXST-PXYINDEMSA-N
C[C@@H](C[S](C)(=O)=O)NC(=O)C1=C(C=CC=C1Cl)C(=O)NC1=CC(F)=C(C=C1Cl)C(C)N1N=C(C=C1C(F)(F)F)C(F)(F)F
C25H21Cl2F7N4O4S
null
null
N1-(4-{1-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-2-chloro-5-fluorophenyl)-3-chloro-N2-[(2S)-1-methanesulfonylpropan-2-yl]benzene-1,2-dicarboxamide
null
null
null
InChI=1S/C7H3Cl5N4S/c1-16-3(9)2(8)13-4(16)5-14-6(15-17-5)7(10,11)12/h1H3
AGXACYYQAFKZQS-UHFFFAOYSA-N
CN1C(Cl)=C(Cl)N=C1C1=NC(=NS1)C(Cl)(Cl)Cl
C7H3Cl5N4S
CN1C(=C(N=C1C2=NC(=NS2)C(Cl)(Cl)Cl)Cl)Cl
5-(4,5-dichloro-1-methylimidazol-2-yl)-3-(trichloromethyl)-1,2,4-thiadiazole
5-(4,5-dichloro-1-methyl-1H-imidazol-2-yl)-3-(trichloromethyl)-1,2,4-thiadiazole
{"alternativeParents":["CHEMONTID:0002311","CHEMONTID:0001030","CHEMONTID:0000093","CHEMONTID:0004144","CHEMONTID:0004139","CHEMONTID:0000278","CHEMONTID:0001516","CHEMONTID:0004150","CHEMONTID:0001026"],"directParent":"CHEMONTID:0002633","intermediateNodes":["CHEMONTID:0002310","CHEMONTID:0002632"],"kingdom":"CHEMONTI...
null
null
InChI=1S/C59H36S/c1-2-18-40-37(16-1)17-15-26-42(40)57-46-23-7-5-21-44(46)56(45-22-6-8-24-47(45)57)39-34-32-38(33-35-39)49-36-53-58(43-20-4-3-19-41(43)49)48-25-9-10-27-50(48)59(53)51-28-11-13-30-54(51)60-55-31-14-12-29-52(55)59/h1-36H/i5D,6D,7D,8D,21D,22D,23D,24D
AGXBJUXSUJMPNE-ITSZCHCGSA-N
[2H]C1=C([2H])C2=C(C([2H])=C1[2H])C(C1=CC=CC3=C1C=CC=C3)=C1C([2H])=C([2H])C([2H])=C([2H])C1=C2C1=CC=C(C=C1)C1=C2C=CC=CC2=C2C3=CC=CC=C3C3(C2=C1)C1=CC=CC=C1SC1=CC=CC=C31
C59H36S
null
null
5-{4-[10-(naphthalen-1-yl)(1,2,3,4,5,6,7,8-²H₈)anthracen-9-yl]phenyl}spiro[benzo[c]fluorene-7,9'-thioxanthene]
null
null
null
InChI=1S/C23H24Cl2N2O5/c1-6-11-27-21(28)18(19(20(25)26-27)31-22(29)32-23(2,3)4)17-15-9-8-14(30-5)12-13(15)7-10-16(17)24/h7-10,12H,6,11H2,1-5H3
AGXBWVOIUABKJJ-UHFFFAOYSA-N
CCCN1N=C(Cl)C(OC(=O)OC(C)(C)C)=C(C1=O)C1=C(Cl)C=CC2=C1C=CC(OC)=C2
C23H24Cl2N2O5
null
null
tert-butyl 3-chloro-5-(2-chloro-6-methoxynaphthalen-1-yl)-6-oxo-1-propyl-1,6-dihydropyridazin-4-yl carbonate
null
null
null
InChI=1S/C11H13F9N3O4S2.H3O4P/c1-22-4-5-23(7-22)3-2-6-28(24,25)21-29(26,27)11(19,20)9(14,15)8(12,13)10(16,17)18;1-5(2,3)4/h4-5,7,21H,2-3,6H2,1H3;(H3,1,2,3,4)/q+1;/p-1
AGXHTIPOAXFUPP-UHFFFAOYSA-M
O[P](O)([O-])=O.CN1C=C[N+](CCC[S](=O)(=O)N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=C1
C11H15F9N3O8PS2
null
null
1-methyl-3-{3-[(1,1,2,2,3,3,4,4,4-nonafluorobutanesulfonyl)sulfamoyl]propyl}-1H-imidazol-3-ium dihydrogen phosphate
null
null
null
InChI=1S/C24H27Br2NS2/c1-16-5-4-6-19(14-16)27-24(29-23-10-7-17(2)13-18(23)3)11-12-28-20-8-9-21(25)22(26)15-20/h4-6,8-9,11-12,14-15,17-18,23H,7,10,13H2,1-3H3/b12-11+,27-24?
AGXHTOAPPGYEFE-MKZWXWGASA-N
CC1CCC(SC(\C=C\SC2=CC(Br)=C(Br)C=C2)=NC2=CC(C)=CC=C2)C(C)C1
C24H27Br2NS2
null
null
(2E)-3-[(3,4-dibromophenyl)sulfanyl]-1-[(2,4-dimethylcyclohexyl)sulfanyl]-N-(3-methylphenyl)prop-2-en-1-imine
null
null
null
InChI=1S/C19H18ClFN8O/c1-11-8-23-10-28(11)15-7-6-12(9-24-15)25-18(30)17-26-19(21)27-29(17)14-5-3-4-13(20)16(14)22-2/h3-10,17,22H,1-2H3,(H,25,30)(H,26,27)
AGXKTBYSMUIWSE-UHFFFAOYSA-N
CNC1=C(C=CC=C1Cl)N1N=C(F)NC1C(=O)NC1=CN=C(C=C1)N1C=NC=C1C
C19H18ClFN8O
null
null
1-[3-chloro-2-(methylamino)phenyl]-3-fluoro-N-[6-(5-methyl-1H-imidazol-1-yl)pyridin-3-yl]-4,5-dihydro-1H-1,2,4-triazole-5-carboxamide
null
null
null
InChI=1S/C20H17NO2/c22-19-17(15-11-10-13-6-4-5-7-14(13)12-15)18(20(19)23)21-16-8-2-1-3-9-16/h1-3,8-12,21H,4-7H2
AGXLHSOAVGDVCA-UHFFFAOYSA-N
C1CCC2=C(C1)C=CC(=C2)C3=C(C(=O)C3=O)NC4=CC=CC=C4
C20H17NO2
C1CCC2=C(C1)C=CC(=C2)C3=C(C(=O)C3=O)NC4=CC=CC=C4
3-anilino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
3-(phenylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
{"alternativeParents":["CHEMONTID:0000284","CHEMONTID:0002453","CHEMONTID:0003890","CHEMONTID:0003487","CHEMONTID:0002451","CHEMONTID:0003940","CHEMONTID:0004150"],"directParent":"CHEMONTID:0000048","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aromatic homopolycyclic compounds","substituen...
null
null
InChI=1S/C24H21ClF3N7O3S/c1-4-39(37,38)23-22(31-19-9-15(25)7-8-34(19)23)35-12-17-16(10-20(35)36)30-21(33(17)3)14-5-6-18(29-11-14)32(2)13-24(26,27)28/h5-12H,4,13H2,1-3H3
AGXNBKRUJGGDTP-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=C2C=C(Cl)C=CN12)N1C=C2N(C)C(=NC2=CC1=O)C1=CN=C(C=C1)N(C)CC(F)(F)F
C24H21ClF3N7O3S
null
null
5-[7-chloro-3-(ethanesulfonyl)imidazo[1,2-a]pyridin-2-yl]-3-methyl-2-{6-[methyl(2,2,2-trifluoroethyl)amino]pyridin-3-yl}-3H,5H,6H-imidazo[4,5-c]pyridin-6-one
null
null
null
InChI=1S/C39H65N11O17S/c1-18(2)13-23(34(61)48-25(15-51)36(63)44-20(6-8-28(40)54)32(59)45-22(39(66)67)10-12-68-3)46-37(64)26(16-52)50-38(65)27(17-53)49-35(62)24(14-30(56)57)47-33(60)21(7-9-29(41)55)43-31(58)19-5-4-11-42-19/h18-27,42,51-53H,4-17H2,1-3H3,(H2,40,54)(H2,41,55)(H,43,58)(H,44,63)(H,45,59)(H,46,64)(H,47,60)(H,...
AGXQETBOEPSDED-JOXZBDCSSA-N
CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(O)=O
C39H65N11O17S
null
null
(3S)-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-[(2S)-4-carbamoyl-2-{[(2S)-pyrrolidin-2-yl]formamido}butanamido]propanoic acid
null
null
null
InChI=1S/C16H22ClNO2.ClH/c1-12(19)20-15-8-10-16(11-9-15,18(2)3)13-4-6-14(17)7-5-13;/h4-7,15H,8-11H2,1-3H3;1H
AGXWXPLAAJGRKF-UHFFFAOYSA-N
Cl.CN(C)C1(CCC(CC1)OC(C)=O)C1=CC=C(Cl)C=C1
C16H23Cl2NO2
CC(=O)OC1CCC(CC1)(C2=CC=C(C=C2)Cl)N(C)C.Cl
[4-(4-chlorophenyl)-4-(dimethylamino)cyclohexyl] acetate;hydrochloride
4-(4-chlorophenyl)-4-(dimethylamino)cyclohexyl acetate hydrochloride
null
{"gb":1,"us":1}
null
InChI=1S/C23H16BrClF6N4O/c1-21(36,23(29,30)31)18-13-5-2-3-6-16(13)35(20(18)34-11-17-32-7-4-8-33-17)19-14(24)9-12(10-15(19)25)22(26,27)28/h2-10,34,36H,11H2,1H3
AGYDAQNTRMWJJM-UHFFFAOYSA-N
CC(O)(C1=C(NCC2=NC=CC=N2)N(C2=CC=CC=C12)C1=C(Br)C=C(C=C1Cl)C(F)(F)F)C(F)(F)F
C23H16BrClF6N4O
null
null
2-{1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-2-{[(pyrimidin-2-yl)methyl]amino}-1H-indol-3-yl}-1,1,1-trifluoropropan-2-ol
null
null
null
InChI=1S/C27H24BrNO3/c1-5-16-11-18(28)9-14(2)20(16)21-24(30)22-23(25(21)31)27(4)19(12-26(22,3)32-27)17-8-6-7-15(10-17)13-29/h6-12,22-23,31H,5H2,1-4H3
AGYKUWWGYZFFLL-UHFFFAOYSA-N
CCC1=C(C2=C(O)C3C(C2=O)C2(C)OC3(C)C(=C2)C2=CC(=CC=C2)C#N)C(C)=CC(Br)=C1
C27H24BrNO3
null
null
3-[4-(4-bromo-2-ethyl-6-methylphenyl)-5-hydroxy-1,7-dimethyl-3-oxo-10-oxatricyclo[5.2.1.0²,⁶]deca-4,8-dien-8-yl]benzonitrile
null
null
null
InChI=1S/C10H24N2O/c1-8(2)6-13-7-10(5-11)12-9(3)4/h8-10,12H,5-7,11H2,1-4H3
AGYMAOISAQXQMD-UHFFFAOYSA-N
CC(C)COCC(CN)NC(C)C
C10H24N2O
CC(C)COCC(CN)NC(C)C
3-(2-methylpropoxy)-2-N-propan-2-ylpropane-1,2-diamine
[1-amino-3-(2-methylpropoxy)propan-2-yl](propan-2-yl)amine
null
null
null
InChI=1S/C59H38/c1-59(2)54-31-25-37-12-6-7-13-44(37)58(54)53-33-51-46-15-9-8-14-45(46)50-32-41(24-28-47(50)52(51)34-55(53)59)35-16-18-38(19-17-35)43-27-21-40-22-29-48-42(36-10-4-3-5-11-36)26-20-39-23-30-49(43)57(40)56(39)48/h3-34H,1-2H3
AGYOHODJJMVIDB-UHFFFAOYSA-N
CC1(C2=C(C3=CC=CC=C3C=C2)C4=C1C=C5C6=C(C=C(C=C6)C7=CC=C(C=C7)C8=C9C=CC1=C2C9=C(C=C8)C=CC2=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1C5=C4)C
C59H38
CC1(C2=C(C3=CC=CC=C3C=C2)C4=C1C=C5C6=C(C=C(C=C6)C7=CC=C(C=C7)C8=C9C=CC1=C2C9=C(C=C8)C=CC2=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1C5=C4)C
14,14-dimethyl-21-[4-(6-phenylpyren-1-yl)phenyl]heptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene
14,14-dimethyl-21-[4-(6-phenylpyren-1-yl)phenyl]heptacyclo[15.12.0.0³,¹⁵.0⁴,¹³.0⁵,¹⁰.0¹⁸,²³.0²⁴,²⁹]nonacosa-1(29),2,4,6,8,10,12,15,17,19,21,23,25,27-tetradecaene
null
null
null
InChI=1S/C24H15Cl2N3S/c1-14-6-8-15(9-7-14)24-29-21(13-30-24)23-22(17-11-10-16(25)12-18(17)26)27-19-4-2-3-5-20(19)28-23/h2-13H,1H3
AGYROANTIGJWHL-UHFFFAOYSA-N
CC1=CC=C(C=C1)C1=NC(=CS1)C1=NC2=C(C=CC=C2)N=C1C1=C(Cl)C=C(Cl)C=C1
C24H15Cl2N3S
null
null
2-(2,4-dichlorophenyl)-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]quinoxaline
null
null
null
InChI=1S/C29H25BO2S2/c1-27(2)28(3,4)32-30(31-27)19-15-16-24-22(17-19)29(20-11-5-6-13-23(20)33-24)21-12-7-9-18-10-8-14-25(34-29)26(18)21/h5-17H,1-4H3
AGYSLASHKMRRON-UHFFFAOYSA-N
CC1(C)OB(OC1(C)C)C1=CC=C2SC3=CC=CC=C3C3(SC4=CC=CC5=C4C3=CC=C5)C2=C1
C29H25BO2S2
null
null
4,4,5,5-tetramethyl-2-{3'-thiaspiro[thioxanthene-9,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),4',6',8'(12'),9'-pentaen-7-yl}-1,3,2-dioxaborolane
null
null
null
InChI=1S/2C5H11N.Cd.2I/c2*1-2-4-6-5-3-1;;;/h2*6H,1-5H2;;;/q;;+2;2*-1
AGYUQUDFTGSKAT-UHFFFAOYSA-N
[I-][Cd++]([I-])([NH]1CCCCC1)[NH]1CCCCC1
C10H22CdI2N2
null
null
null
null
null
null
InChI=1S/C15H26/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-11,13,15H,5-9H2,1-4H3/t11-,13+,15+/m1/s1
AGYZDIXPIMYUJW-ZLDLUXBVSA-N
C[C@@H]1CCC2=C(CC[C@H]([C@@H]2C1)C(C)C)C
C15H26
CC1CCC2=C(CCC(C2C1)C(C)C)C
(3R,4aS,5S)-3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene
(3R,4aS,5S)-3,8-dimethyl-5-(propan-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
null
null
null
InChI=1S/C13H20N2S2/c1-3-15(4-2)11-17-10-13(16)14-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,14,16)
AGZCYFVAIVFBBI-UHFFFAOYSA-N
CCN(CC)CSCC(=S)NC1=CC=CC=C1
C13H20N2S2
CCN(CC)CSCC(=S)NC1=CC=CC=C1
2-(diethylaminomethylsulfanyl)-N-phenylethanethioamide
2-{[(diethylamino)methyl]sulfanyl}-N-phenylethanethioamide
null
null
null
InChI=1S/C20H18F7IN4O4S2/c1-3-31(2)38(35,36)15-5-4-6-29-16(15)32-10-30-13-8-12(28)14(7-11(13)17(32)33)37(34)9-18(21,22)19(23,24)20(25,26)27/h4-8,30H,3,9-10H2,1-2H3
AGZFRCJUEXJPJH-UHFFFAOYSA-N
CCN(C)[S](=O)(=O)C1=C(N=CC=C1)N1CNC2=CC(I)=C(C=C2C1=O)[S](=O)CC(F)(F)C(F)(F)C(F)(F)F
C20H18F7IN4O4S2
null
null
N-ethyl-2-[6-(2,2,3,3,4,4,4-heptafluorobutanesulfinyl)-7-iodo-4-oxo-1,2,3,4-tetrahydroquinazolin-3-yl]-N-methylpyridine-3-sulfonamide
null
null
null
InChI=1S/C28H22N4O2/c1-34-25-20-12-11-19-24(25)27-26(30-29-21-13-5-2-6-14-21)28(33)32(23-17-9-4-10-18-23)31(27)22-15-7-3-8-16-22/h2-20H,1H3
AGZGMWICASGNGY-UHFFFAOYSA-N
COC1=C(C=CC=C1)C1=C(N=NC2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1
C28H22N4O2
COC1=C(C=CC=C1)C1=C(N=NC2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1
null
5-(2-methoxyphenyl)-1,2-diphenyl-4-(2-phenyldiazen-1-yl)-2,3-dihydro-1H-pyrazol-3-one
null
null
null
InChI=1S/C42H75N15O11/c1-21(2)11-28(55-36(62)27(43)14-26-16-47-20-51-26)37(63)50-18-34(60)54-29(12-22(3)4)38(64)52-24(7)35(61)53-25(9-8-10-48-42(45)46)17-49-32(19-58)40(66)56-30(15-33(44)59)39(65)57-31(41(67)68)13-23(5)6/h16,20-25,27-32,49,58H,8-15,17-19,43H2,1-7H3,(H2,44,59)(H,47,51)(H,50,63)(H,52,64)(H,53,61)(H,54,60...
AGZHMWDCSPUJLM-UHFFFAOYSA-N
CC(C)CC(NC(=O)C(CC(N)=O)NC(=O)C(CO)NCC(CCCNC(N)=N)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(N)CC1=CN=CN1)C(O)=O
C42H75N15O11
null
null
2-(2-{2-[(2-{2-[2-(2-{2-[2-amino-3-(1H-imidazol-5-yl)propanamido]-4-methylpentanamido}acetamido)-4-methylpentanamido]propanamido}-5-carbamimidamidopentyl)amino]-3-hydroxypropanamido}-3-carbamoylpropanamido)-4-methylpentanoic acid
null
null
null
InChI=1S/C26H24F6N6O2/c1-13(2)34-23(39)17-9-20-19(33-12-37(20)4)8-16(17)24(40)35-18-6-5-15(7-14(18)3)11-38-22(26(30,31)32)10-21(36-38)25(27,28)29/h5-10,12-13H,11H2,1-4H3,(H,34,39)(H,35,40)
AGZHPMPCXPCIAQ-UHFFFAOYSA-N
CC(C)NC(=O)C1=C(C=C2N=CN(C)C2=C1)C(=O)NC1=C(C)C=C(CN2N=C(C=C2C(F)(F)F)C(F)(F)F)C=C1
C26H24F6N6O2
null
null
N5-(4-{[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-methylphenyl)-1-methyl-N6-(propan-2-yl)-1H-1,3-benzodiazole-5,6-dicarboxamide
null
null
null
InChI=1S/C29H27ClF6N2O5S/c1-3-38(10-11-42-12-13-44(2,40)41)26(39)24-9-8-23(21-6-4-5-7-22(21)24)25-17-27(43-37-25,29(34,35)36)18-14-19(28(31,32)33)16-20(30)15-18/h4-9,14-16H,3,10-13,17H2,1-2H3
AGZIDZSXFUWCKI-UHFFFAOYSA-N
CCN(CCOCC[S](C)(=O)=O)C(=O)C1=CC=C(C2=NOC(C2)(C2=CC(=CC(Cl)=C2)C(F)(F)F)C(F)(F)F)C2=C1C=CC=C2
C29H27ClF6N2O5S
null
null
4-{5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl}-N-ethyl-N-[2-(2-methanesulfonylethoxy)ethyl]naphthalene-1-carboxamide
null
null
null
InChI=1S/C30H28F3NO4S/c1-3-4-8-19-37-25-16-11-21(20-26(25)36-2)17-18-34-28(39)27(38-29(35)23-9-6-5-7-10-23)22-12-14-24(15-13-22)30(31,32)33/h5-7,9-16,20,27H,3,17-19H2,1-2H3,(H,34,39)
AGZIRRYDSLHMFI-UHFFFAOYSA-N
CCC#CCOC1=C(OC)C=C(CCNC(=S)C(OC(=O)C2=CC=CC=C2)C2=CC=C(C=C2)C(F)(F)F)C=C1
C30H28F3NO4S
null
null
({2-[3-methoxy-4-(pent-2-yn-1-yloxy)phenyl]ethyl}carbamothioyl)[4-(trifluoromethyl)phenyl]methyl benzoate
null
null
null
InChI=1S/C20H21ClF3NOS/c1-18(2,3)26-16-11-25-10-15(21)17(16)19(7-8-19)13-5-4-6-14(9-13)27-12-20(22,23)24/h4-6,9-11H,7-8,12H2,1-3H3
AGZISBWFWVZBAD-UHFFFAOYSA-N
CC(C)(C)OC1=CN=CC(Cl)=C1C1(CC1)C1=CC(SCC(F)(F)F)=CC=C1
C20H21ClF3NOS
null
null
3-(tert-butoxy)-5-chloro-4-(1-{3-[(2,2,2-trifluoroethyl)sulfanyl]phenyl}cyclopropyl)pyridine
null
null
null
InChI=1S/C19H18ClF2N3O4/c1-9(2)25-18(27)13(14(15(20)24-25)29-19(28)10-6-7-10)17(26)23-12-5-3-4-11(8-12)16(21)22/h3-5,8-10,16H,6-7H2,1-2H3,(H,23,26)
AGZKCRJEEJZSKK-UHFFFAOYSA-N
CC(C)N1N=C(Cl)C(OC(=O)C2CC2)=C(C(=O)NC2=CC(=CC=C2)C(F)F)C1=O
C19H18ClF2N3O4
CC(C)N1N=C(Cl)C(OC(=O)C2CC2)=C(C(=O)NC2=CC(=CC=C2)C(F)F)C1=O
null
3-chloro-5-{[3-(difluoromethyl)phenyl]carbamoyl}-6-oxo-1-(propan-2-yl)-1,6-dihydropyridazin-4-yl cyclopropanecarboxylate
null
null
null