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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/C12H12ClNO2/c1-8-2-3-9-10(13)4-5-11(12(9)14-8)16-7-6-15/h2-5,15H,6-7H2,1H3
AGQTUBAWHAJDQU-UHFFFAOYSA-N
CC1=NC2=C(C=C1)C(Cl)=CC=C2OCCO
C12H12ClNO2
null
null
2-[(5-chloro-2-methylquinolin-8-yl)oxy]ethan-1-ol
null
null
null
InChI=1S/C14H16FN3OS/c1-9-8-18(10-5-6-11(15)16-7-10)13(20-9)17-12(19)14(2,3)4/h5-8H,1-4H3/b17-13-
AGQTYSJQDMVKQC-LGMDPLHJSA-N
CC1=CN(\C(S1)=N\C(=O)C(C)(C)C)C1=CN=C(F)C=C1
C14H16FN3OS
null
null
N-[(2Z)-3-(6-fluoropyridin-3-yl)-5-methyl-2,3-dihydro-1,3-thiazol-2-ylidene]-2,2-dimethylpropanamide
null
{"ca":1,"cn":1,"ep":2,"jp":1,"us":3,"wo":3}
null
InChI=1S/C29H34F4N6O3/c1-13(2)25(30)27(41)36-26(24(16-5-6-16)17-7-8-17)28(42)35-21-9-18-12-39(15(4)29(31,32)33)22(40)10-20-23(14(3)37-38-20)19(18)11-34-21/h9,11,15-17,24,26H,5-8,10,12H2,1-4H3,(H,36,41)(H,37,38)(H,34,35,42)/t15?,26-/m0/s1
AGQZZFXQGBUKEE-SUDJFYTKSA-N
CC(N1CC2=CC(NC(=O)[C@@H](NC(=O)C(F)=C(C)C)C(C3CC3)C3CC3)=NC=C2C2=C(C)NN=C2CC1=O)C(F)(F)F
C29H34F4N6O3
CC(N1CC2=CC(NC(=O)C(NC(=O)C(F)=C(C)C)C(C3CC3)C3CC3)=NC=C2C2=C(C)NN=C2CC1=O)C(F)(F)F
null
N-[(1S)-2,2-dicyclopropyl-1-{[3-methyl-8-oxo-9-(1,1,1-trifluoropropan-2-yl)-4,5,9,14-tetraazatricyclo[9.4.0.0²,⁶]pentadeca-1(15),2,5,11,13-pentaen-13-yl]carbamoyl}ethyl]-2-fluoro-3-methylbut-2-enamide
null
null
null
InChI=1S/C24H42O2Si/c1-4-6-8-12-21-17-16-20(3)24-19-18-22(13-9-7-5-2)26-27(24,25-21)23-14-10-11-15-23/h16,19,21-23H,4-15,17-18H2,1-3H3
AGRFNLOMUBMPMJ-UHFFFAOYSA-N
CCCCCC1CC=C(C2=CCC(O[Si]2(O1)C3CCCC3)CCCCC)C
C24H42O2Si
CCCCCC1CC=C(C2=CCC(O[Si]2(O1)C3CCCC3)CCCCC)C
10-cyclopentyl-5-methyl-2,8-dipentyl-2,3,7,8-tetrahydrooxasilino[2,3-b]oxasilepine
10-cyclopentyl-5-methyl-2,8-dipentyl-2H,3H,7H,8H,10H-[1,2]oxasilino[2,3-b][1,2]oxasilepine
{"alternativeParents":["CHEMONTID:0004140","CHEMONTID:0004445","CHEMONTID:0003998","CHEMONTID:0000323","CHEMONTID:0004150"],"directParent":"CHEMONTID:0003265","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aliphatic heteropolycyclic compounds","subclass":"CHEMONTID:0003194","substituents":["...
null
null
InChI=1S/C24H20N8O2/c1-13-14(2)25-8-6-18(13)28-23-29-22-21(15-4-5-19-20(10-15)34-24(33)31(19)3)17(7-9-32(22)30-23)16-11-26-27-12-16/h4-12H,1-3H3,(H,26,27)(H,25,28,30)
AGRGXKGULGGZHM-UHFFFAOYSA-N
CC1=C(C=CN=C1C)NC2=NN3C=CC(=C(C3=N2)C4=CC5=C(C=C4)N(C(=O)O5)C)C6=CNN=C6
C24H20N8O2
CC1=C(C=CN=C1C)NC2=NN3C=CC(=C(C3=N2)C4=CC5=C(C=C4)N(C(=O)O5)C)C6=CNN=C6
6-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-methyl-1,3-benzoxazol-2-one
6-{2-[(2,3-dimethylpyridin-4-yl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl}-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
null
null
null
InChI=1S/C15H20N2O4S/c1-8-13(22-9(2)16-8)17-11(21-14(19)20-6)7-10(12(17)18)15(3,4)5/h7,11H,1-6H3
AGRHAXSBOGCTAE-UHFFFAOYSA-N
COC(=O)OC1C=C(C(=O)N1C1=C(C)N=C(C)S1)C(C)(C)C
C15H20N2O4S
null
null
4-tert-butyl-1-(2,4-dimethyl-1,3-thiazol-5-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl methyl carbonate
null
null
null
InChI=1S/C28H24FN5O4S/c1-34-15-21(32-16-34)25-14-20-26(39-25)24(10-12-30-20)38-23-8-7-18(13-19(23)29)33-28(36)27(35)31-11-9-17-5-3-4-6-22(17)37-2/h3-8,10,12-16H,9,11H2,1-2H3,(H,31,35)(H,33,36)
AGRHUDOSCKXYSP-UHFFFAOYSA-N
CN1C=C(N=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=O)C(=O)NCCC5=CC=CC=C5OC)F
C28H24FN5O4S
CN1C=C(N=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=O)C(=O)NCCC5=CC=CC=C5OC)F
N'-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
N'-(3-fluoro-4-{[2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanediamide
{"intermediateNodes":["CHEMONTID:0000347","CHEMONTID:0000060"],"alternativeParents":["CHEMONTID:0002463","CHEMONTID:0000344","CHEMONTID:0000285","CHEMONTID:0004742","CHEMONTID:0003482","CHEMONTID:0003282","CHEMONTID:0004113","CHEMONTID:0000138","CHEMONTID:0000128","CHEMONTID:0001100","CHEMONTID:0000089","CHEMONTID:0002...
{"cn":1,"ep":1,"ca":1}
null
InChI=1S/C19H15F2N3O2S/c1-10(12-4-5-16-15(6-12)26-19(20,21)27-16)17-13(11-2-3-11)7-22-8-14(17)18-23-9-25-24-18/h4-11H,2-3H2,1H3
AGRNPWRBSJYXKQ-UHFFFAOYSA-N
CC(C1=CC=C2SC(F)(F)OC2=C1)C1=C(C=NC=C1C1CC1)C1=NOC=N1
C19H15F2N3O2S
null
null
3-cyclopropyl-4-[1-(2,2-difluoro-2H-1,3-benzoxathiol-6-yl)ethyl]-5-(1,2,4-oxadiazol-3-yl)pyridine
null
null
null
InChI=1S/C24H16O/c25-24-19-12-4-8-15-7-3-11-18(22(15)19)23(24)20-13-16-9-1-5-14-6-2-10-17(20)21(14)16/h1-12,20,23H,13H2
AGRNYBYPSKQTKX-UHFFFAOYSA-N
O=C1C(C2CC3=CC=CC4=CC=CC2=C34)C2=C3C1=CC=CC3=CC=C2
C24H16O
O=C1C(C2CC3=CC=CC4=CC=CC2=C34)C2=C3C1=CC=CC3=CC=C2
null
1H,1'H,2H,2'H-[1,1'-biacenaphthylen]-2-one
null
null
null
InChI=1S/C22H22/c1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20/h1-10,15-18H,11-14H2
AGRRPXGGTNIFEM-UHFFFAOYSA-N
C1=CC=C(C=C1)CCC2=CC=C(C=C2)CCC3=CC=CC=C3
C22H22
C1=CC=C(C=C1)CCC2=CC=C(C=C2)CCC3=CC=CC=C3
1,4-bis(2-phenylethyl)benzene
1,4-bis(2-phenylethyl)benzene
{"intermediateNodes":[],"alternativeParents":["CHEMONTID:0002279","CHEMONTID:0004477","CHEMONTID:0004475"],"substituents":["Stilbene","Benzenoid","Monocyclic benzene moiety","Aromatic hydrocarbon","Unsaturated hydrocarbon","Hydrocarbon","Aromatic homomonocyclic compound"],"superclass":"CHEMONTID:0000261","kingdom":"CHE...
{"se":2,"jp":3,"wo":5,"cn":3,"ep":6,"gb":2,"ca":1,"nl":3,"us":19}
null
InChI=1S/C18H19F2N3O2/c1-10(13-5-4-12(19)8-15(13)20)14(11-2-3-11)9-22-18(25)17-21-7-6-16(24)23-17/h4-8,10-11,14H,2-3,9H2,1H3,(H,22,25)(H,21,23,24)/t10-,14-/m1/s1
AGRXARQVBITZGA-JEVNKCSWSA-N
C[C@@H]([C@@H](CNC(=O)C1=NC=CC(=O)N1)C1CC1)C1=C(F)C=C(F)C=C1
C18H19F2N3O2
null
null
N-[(2S,3S)-2-cyclopropyl-3-(2,4-difluorophenyl)butyl]-6-oxo-1,6-dihydropyrimidine-2-carboxamide
null
null
null
InChI=1S/C25H32N2O4/c1-25(2,3)31-21-11-9-19(10-12-21)15-22-24(30)27(17-20(26-22)16-23(28)29)14-13-18-7-5-4-6-8-18/h4-12,20,22,26H,13-17H2,1-3H3,(H,28,29)
AGRZRMNQRIKTTP-UHFFFAOYSA-N
CC(C)(C)OC1=CC=C(CC2NC(CC(O)=O)CN(CCC3=CC=CC=C3)C2=O)C=C1
C25H32N2O4
null
null
2-(6-{[4-(tert-butoxy)phenyl]methyl}-5-oxo-4-(2-phenylethyl)piperazin-2-yl)acetic acid
null
null
null
InChI=1S/C19H21N3O3/c1-22-6-5-18-14-10-3-4-12(24-2)16(14)25-17(18)15-11(9-20-21-15)8-19(18,23)13(22)7-10/h3-4,9,13,17,23H,5-8H2,1-2H3,(H,20,21)/t13-,17+,18+,19-/m1/s1
AGSHSFSAWAZTOM-WEZQJLTASA-N
CN1CC[C@]23[C@@H]4C5=C(C[C@]2([C@H]1CC6=C3C(=C(C=C6)OC)O4)O)C=NN5
C19H21N3O3
CN1CCC23C4C5=C(CC2(C1CC6=C3C(=C(C=C6)OC)O4)O)C=NN5
(1S,2S,9R,17R)-12-methoxy-18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaen-2-ol
(1S,2S,9R,17R)-12-methoxy-18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.0¹,⁹.0²,¹⁷.0⁴,⁸.0¹⁵,²¹]henicosa-4,7,11,13,15(21)-pentaen-2-ol
null
null
null
InChI=1S/C29H61N7S2.Eu/c1-26(37)8-10-28-24-34(7)25-29(11-9-27(2)38)36-22-18-32(5)14-12-30(3)16-20-35(28)21-17-31(4)13-15-33(6)19-23-36;/h26-29H,8-25H2,1-7H3;/q-2;+2
AGSIOYLFFODXGE-UHFFFAOYSA-N
[Eu++]12345678[N]9(CC[N]1(C)CC[N]21C(CCC([S-]3)C)C[N]4(CC(CCC([S-]5)C)[N]6(CC9)CC[N]7(CC[N]8(C)CC1)C)C)C |(3.92,7.63,;1.48,8.16,;.15,7.39,;.15,5.85,;1.49,5.09,;.24,4.37,;1.49,3.56,;2.82,2.79,;4.15,3.56,;6.12,3.31,;6.77,2.08,;7.9,1.92,;7.78,3.12,;5.89,5.04,;7.07,2.79,;7.22,4.51,;6.89,6.77,;6.99,8.98,;5.69,9.69,;7.18,10....
C29H61EuN7S2
null
null
null
null
null
null
InChI=1S/C18H10BrClF2N2O2/c1-2-26-16(25)7-11(17-13(20)4-3-5-14(17)21)12(8-23)10-6-15(22)18(19)24-9-10/h1,3-6,9,11-12H,7H2/t11-,12-/m0/s1
AGSJEGKXMVQGPU-RYUDHWBXSA-N
FC1=CC(=CN=C1Br)[C@H](C#N)[C@H](CC(=O)OC#C)C1=C(Cl)C=CC=C1F
C18H10BrClF2N2O2
null
null
ethynyl (3S,4R)-4-(6-bromo-5-fluoropyridin-3-yl)-3-(2-chloro-6-fluorophenyl)-4-cyanobutanoate
null
null
null
InChI=1S/C15H20BrNO3/c1-15(2,3)20-14(19)17-9-12(18)8-13(17)10-4-6-11(16)7-5-10/h4-7,12-13,18H,8-9H2,1-3H3/t12-,13-/m1/s1
AGSKJZCTRYYLNO-CHWSQXEVSA-N
CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1C2=CC=C(C=C2)Br)O
C15H20BrNO3
CC(C)(C)OC(=O)N1CC(CC1C2=CC=C(C=C2)Br)O
tert-butyl (2R,4R)-2-(4-bromophenyl)-4-hydroxypyrrolidine-1-carboxylate
tert-butyl (2R,4R)-2-(4-bromophenyl)-4-hydroxypyrrolidine-1-carboxylate
{"alternativeParents":["CHEMONTID:0002416","CHEMONTID:0001098","CHEMONTID:0001029","CHEMONTID:0000090","CHEMONTID:0001162","CHEMONTID:0001661","CHEMONTID:0004139","CHEMONTID:0000278","CHEMONTID:0001515","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"CHEMONTID:0002336","intermediateNodes":[...
{"jp":5}
null
InChI=1S/C25H19Cl2F3N4O3S/c1-2-38(36,37)24-22(31-21-9-8-16(13-33(21)24)25(28,29)30)34-14-32(12-15-6-4-3-5-7-15)20-11-19(27)18(26)10-17(20)23(34)35/h3-11,13H,2,12,14H2,1H3
AGSKZBMPMQHYLY-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=C2C=CC(=CN12)C(F)(F)F)N1CN(CC2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2C1=O
C25H19Cl2F3N4O3S
null
null
1-benzyl-6,7-dichloro-3-[3-(ethanesulfonyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,3,4-tetrahydroquinazolin-4-one
null
null
null
InChI=1S/C21H20N8O3/c1-14-8-10-15(11-9-14)18-24-27-28(25-18)13-17-12-22-26-29(17)19(21(31)32-2)23-20(30)16-6-4-3-5-7-16/h3-12,19H,13H2,1-2H3,(H,23,30)
AGSNRRHUYLAMBM-UHFFFAOYSA-N
COC(=O)C(NC(=O)C1=CC=CC=C1)N1N=NC=C1CN1N=NC(=N1)C1=CC=C(C)C=C1
C21H20N8O3
null
null
methyl 2-(5-{[5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]methyl}-1H-1,2,3-triazol-1-yl)-2-(phenylformamido)acetate
null
null
null
InChI=1S/C4H7NO/c1-5-3-2-4-6/h2-5H,1H3/b3-2+
AGSONCQUPWJXCJ-NSCUHMNNSA-N
CN\C=C\C=O
C4H7NO
CNC=CC=O
(E)-3-(methylamino)prop-2-enal
(2E)-3-(methylamino)prop-2-enal
{"intermediateNodes":["CHEMONTID:0003131","CHEMONTID:0002433"],"alternativeParents":["CHEMONTID:0003890","CHEMONTID:0000470","CHEMONTID:0002228","CHEMONTID:0004218","CHEMONTID:0003940","CHEMONTID:0004150","CHEMONTID:0000124"],"substituents":["Vinylogous amide","Enal","Allylamine","Enamine","Secondary aliphatic amine","...
null
null
InChI=1S/C14H16N2O2.2ClH/c1-17-10-4-5-11(14(8-10)18-2)9-3-6-12(15)13(16)7-9;;/h3-8H,15-16H2,1-2H3;2*1H
AGSRLRPLLLOSLV-UHFFFAOYSA-N
COC1=CC(OC)=C(C=C1)C1=CC(N)=C(N)C=C1.Cl.Cl
C14H18Cl2N2O2
null
null
2',4'-dimethoxy-[1,1'-biphenyl]-3,4-diamine dihydrochloride
null
null
null
InChI=1S/C28H28O7/c1-19-8-12-22(13-9-19)27(31)34-18-24(30)26(35-28(32)23-14-10-20(2)11-15-23)25(16-29)33-17-21-6-4-3-5-7-21/h3-16,24-26,30H,17-18H2,1-2H3/t24-,25+,26+/m1/s1
AGSUTKBXLNJZBR-ZNZIZOMTSA-N
CC1=CC=C(C=C1)C(=O)OC[C@@H](O)[C@H](OC(=O)C1=CC=C(C)C=C1)[C@@H](OCC1=CC=CC=C1)C=O
C28H28O7
null
null
(2R,3S,4R)-4-(benzyloxy)-2-hydroxy-3-(4-methylbenzoyloxy)-5-oxopentyl 4-methylbenzoate
null
null
null
InChI=1S/C19H26N4O4S/c1-13-10-23(14(2)11-24)28(25,26)19-5-4-15(16-7-21-12-22-8-16)6-17(19)27-18(13)9-20-3/h4-8,12-14,18,20,24H,9-11H2,1-3H3/t13-,14+,18-/m0/s1
AGSWADHYWCCNJT-IYOUNJFTSA-N
CNC[C@@H]1OC2=CC(=CC=C2[S](=O)(=O)N(C[C@@H]1C)[C@H](C)CO)C1=CN=CN=C1
C19H26N4O4S
null
null
(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-[(methylamino)methyl]-8-(pyrimidin-5-yl)-2,3,4,5-tetrahydro-6,1λ⁶,2-benzoxathiazocine-1,1-dione
null
null
null
InChI=1S/C69H107N21O22/c1-9-33(4)52(85-60(103)43(26-47(71)94)81-58(101)42(80-48(95)28-70)25-39-29-74-31-77-39)63(106)87-54(36(7)92)65(108)84-51(32(2)3)66(109)90-23-15-20-46(90)62(105)82-41(24-38-16-11-10-12-17-38)59(102)88-55(37(8)93)67(110)89-22-14-19-45(89)61(104)76-30-49(96)79-40(18-13-21-75-69(72)73)56(99)86-53(35(...
AGSXNLBHHALCFB-KPMAPPRDSA-N
CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(O)=O
C69H107N21O22
null
null
(3S)-3-[(2S,3R)-2-[(2S)-2-(2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-5-yl)propanamido]-3-carbamoylpropanamido]-3-methylpentanamido]-3-hydroxybutanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-hydroxybutanoyl]pyrroli...
null
null
null
InChI=1S/C23H21N3O4/c24-21(25)17-7-4-8-18(13-17)22(28)26-20(15-5-2-1-3-6-15)14-30-23(29)16-9-11-19(27)12-10-16/h1-13,20,27H,14H2,(H3,24,25)(H,26,28)/t20-/m0/s1
AGSYFOCKMKIRQL-FQEVSTJZSA-N
NC(=N)C1=CC=CC(=C1)C(=O)N[C@@H](COC(=O)C1=CC=C(O)C=C1)C1=CC=CC=C1
C23H21N3O4
null
null
(2R)-2-[(3-carbamimidoylphenyl)formamido]-2-phenylethyl 4-hydroxybenzoate
null
null
null
InChI=1S/C24H27F3N2O3S2/c1-13-10-21(33-14(13)2)34(31,32)28-17-8-9-19-18(11-17)23(3,24(25,26)27)12-20(30)29(19)22(15-4-5-15)16-6-7-16/h8-11,15-16,22,28H,4-7,12H2,1-3H3
AGSYVMPHBUNNJR-UHFFFAOYSA-N
CC1=C(C)C=C(S1)[S](=O)(=O)NC1=CC=C2N(C(C3CC3)C3CC3)C(=O)CC(C)(C2=C1)C(F)(F)F
C24H27F3N2O3S2
CC1=C(C)C=C(S1)S(=O)(=O)NC1=CC=C2N(C(C3CC3)C3CC3)C(=O)CC(C)(C2=C1)C(F)(F)F
null
N-[1-(dicyclopropylmethyl)-4-methyl-2-oxo-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-4,5-dimethylthiophene-2-sulfonamide
null
null
null
InChI=1S/C39H41N7O5/c1-5-35(47)45-16-15-44(32-8-6-7-26(2)36(32)45)33-21-29-24-41-39(40-23-28-11-14-31(49-3)22-34(28)50-4)42-37(29)46(38(33)48)30-12-9-27(10-13-30)25-43-17-19-51-20-18-43/h5-14,21-22,24H,1,15-20,23,25H2,2-4H3,(H,40,41,42)
AGSZHQGXUFXTOX-UHFFFAOYSA-N
CC1=C2C(=CC=C1)N(CCN2C(=O)C=C)C3=CC4=CN=C(N=C4N(C3=O)C5=CC=C(C=C5)CN6CCOCC6)NCC7=C(C=C(C=C7)OC)OC
C39H41N7O5
CC1=C2C(=CC=C1)N(CCN2C(=O)C=C)C3=CC4=CN=C(N=C4N(C3=O)C5=CC=C(C=C5)CN6CCOCC6)NCC7=C(C=C(C=C7)OC)OC
2-[(2,4-dimethoxyphenyl)methylamino]-6-(5-methyl-4-prop-2-enoyl-2,3-dihydroquinoxalin-1-yl)-8-[4-(morpholin-4-ylmethyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
2-{[(2,4-dimethoxyphenyl)methyl]amino}-6-[5-methyl-4-(prop-2-enoyl)-1,2,3,4-tetrahydroquinoxalin-1-yl]-8-{4-[(morpholin-4-yl)methyl]phenyl}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
null
null
null
InChI=1S/C10H20S5.3Cl.Sb/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1;;;;/h1-10H2;;;;/q;3*-1;+3
AGSZNZMKUZHTNX-UHFFFAOYSA-N
[Cl-][Sb+3]1234([Cl-])([Cl-])[S]5CC[S]1CC[S]2CC[S]3CC[S]4CC5
C10H20Cl3S5Sb
null
null
null
null
null
null
InChI=1S/C36H32ClF3N2O6/c1-24(41-48-22-27-8-4-6-10-31(27)32(23-44-2)35(43)45-3)34(42-47-20-25-12-16-29(37)17-13-25)26-14-18-30(19-15-26)46-21-28-9-5-7-11-33(28)36(38,39)40/h4-19,23H,20-22H2,1-3H3
AGTBMPMJVUUHAQ-UHFFFAOYSA-N
COC=C(C(=O)OC)C1=C(CON=C(C)C(=NOCC2=CC=C(Cl)C=C2)C2=CC=C(OCC3=C(C=CC=C3)C(F)(F)F)C=C2)C=CC=C1
C36H32ClF3N2O6
null
null
methyl 2-{2-[8-(4-chlorophenyl)-4-methyl-5-(4-{[2-(trifluoromethyl)phenyl]methoxy}phenyl)-2,7-dioxa-3,6-diazaocta-3,5-dien-1-yl]phenyl}-3-methoxyprop-2-enoate
null
null
null
InChI=1S/C21H30N4O/c1-2-25-12-14(22)10-16-15-4-3-5-18-21(15)17(11-20(16)25)19(23-18)13-24-6-8-26-9-7-24/h3-5,14,16,20,23H,2,6-13,22H2,1H3/t14-,16+,20+/m0/s1
AGTDINOCTRNULJ-YYFZDKIDSA-N
CCN1C[C@H](C[C@H]2[C@H]1CC3=C(NC4=CC=CC2=C34)CN5CCOCC5)N
C21H30N4O
CCN1CC(CC2C1CC3=C(NC4=CC=CC2=C34)CN5CCOCC5)N
(6aR,9S,10aR)-7-ethyl-5-(morpholin-4-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine
(2R,4S,7R)-6-ethyl-10-[(morpholin-4-yl)methyl]-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(15),9,12(16),13-tetraen-4-amine
{"alternativeParents":["CHEMONTID:0002679","CHEMONTID:0001908","CHEMONTID:0001734","CHEMONTID:0004196","CHEMONTID:0001819","CHEMONTID:0002357","CHEMONTID:0003899","CHEMONTID:0002257","CHEMONTID:0002448","CHEMONTID:0000392","CHEMONTID:0004144","CHEMONTID:0002239","CHEMONTID:0001167","CHEMONTID:0004140","CHEMONTID:000413...
{"ep":1,"us":1,"wo":1}
null
InChI=1S/C17H25NO4S/c1-5-10-18(17-13(3)11-16(19)22-14(17)4)23(20,21)15-8-6-12(2)7-9-15/h6-9,13-14,17H,5,10-11H2,1-4H3/t13-,14-,17+/m1/s1
AGTHBNOFQKMLJN-CYQBEIBHSA-N
CCCN([C@H]1[C@H](C)CC(=O)O[C@@H]1C)[S](=O)(=O)C1=CC=C(C)C=C1
C17H25NO4S
null
null
N-[(2R,3S,4R)-2,4-dimethyl-6-oxooxan-3-yl]-4-methyl-N-propylbenzene-1-sulfonamide
null
null
null
InChI=1S/C18H18F3NO3/c1-3-8-23-15-10-22-9-12(2)16(15)17(11-24-17)13-4-6-14(7-5-13)25-18(19,20)21/h4-7,9-10H,3,8,11H2,1-2H3
AGTHJVQQOJMZLK-UHFFFAOYSA-N
CCCOC1=CN=CC(C)=C1C1(CO1)C1=CC=C(OC(F)(F)F)C=C1
C18H18F3NO3
null
null
3-methyl-5-propoxy-4-{2-[4-(trifluoromethoxy)phenyl]oxiran-2-yl}pyridine
null
null
null
InChI=1S/C17H18FN7O3S/c1-10-21-16(11-5-4-6-12(18)9-11)23-25(10)17-14(29(26,27)20-2)8-7-13(22-17)15(19)24-28-3/h4-9,20H,1-3H3,(H2,19,24)
AGTIBCHNQAGOKV-UHFFFAOYSA-N
CN[S](=O)(=O)C1=C(N=C(C=C1)C(\N)=N\OC)N1N=C(N=C1C)C1=CC(F)=CC=C1
C17H18FN7O3S
null
null
(Z)-6-[3-(3-fluorophenyl)-5-methyl-1H-1,2,4-triazol-1-yl]-N'-methoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide
null
null
null
InChI=1S/C19H23N4O6PS.C6H12O7.Mn/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15;7-1-2(8)3(9)4(10)5(11)6(12)13;/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28);2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/b17-13-;;/t;2-,3-,4+,5-;/m.1./s1
AGTIGJPYNAHNMC-KMCRPLNXSA-L
[H+].[H][C@@]1([OH][Mn++]([O-][P]([O-])(=O)OCC\C(SC(=O)C2=CC=CC=C2)=C(/C)N(CC2=CN=C(C)N=C2N)C=O)[O-]C1=O)[C@@H](O)[C@H](O)[C@H](O)CO |r,wU:43.45,wD:39.41,41.43,2.0,c:17,19,31,t:15,26,28,(11.61,,;18.35,9.89,;17.11,8.99,;16.08,7.84,;14.67,8.47,;13.34,7.7,;12,8.47,;12.77,9.8,;11.23,7.14,;10.67,9.24,;9.34,8.47,;8,9.24,;6.6...
C25H33MnN4O13PS
null
null
hydrogen (4R)-O-({[(3Z)-4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(Z)-benzoylsulfanyl]pent-3-en-1-yl]oxy}(oxido)phosphoryl)-5-oxo-4-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]-1λ³-oxa-3λ³-oxa-2-manganacyclopentane-2,2-bis(ylium)-1-id-2-olate
null
null
null
InChI=1S/C25H18Cl2FN3O6S/c1-38(34,35)31-13-18(27)20(30-31)22-19(28)12-17(26)21(29-22)24(32)37-23(16-10-6-3-7-11-16)25(33)36-14-15-8-4-2-5-9-15/h2-13,23H,14H2,1H3
AGTLCGNABXVDEJ-UHFFFAOYSA-N
C[S](=O)(=O)N1C=C(Cl)C(=N1)C1=C(F)C=C(Cl)C(=N1)C(=O)OC(C(=O)OCC1=CC=CC=C1)C1=CC=CC=C1
C25H18Cl2FN3O6S
null
null
benzyl 2-[3-chloro-6-(4-chloro-1-methanesulfonyl-1H-pyrazol-3-yl)-5-fluoropyridine-2-carbonyloxy]-2-phenylacetate
null
null
null
InChI=1S/C43H61N13O15/c1-5-19(2)34(55-37(64)25(44)17-57)41(68)50-20(3)36(63)56-35(21(4)58)42(69)53-27(10-22-14-47-26-9-7-6-8-24(22)26)39(66)52-28(11-23-15-46-18-49-23)38(65)48-16-32(60)51-29(12-31(45)59)40(67)54-30(43(70)71)13-33(61)62/h6-9,14-15,18-21,25,27-30,34-35,47,57-58H,5,10-13,16-17,44H2,1-4H3,(H2,45,59)(H,46,4...
AGTLKXLONUXSRU-UQHRHHSPSA-N
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
C43H61N13O15
null
null
(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylpentanamido]propanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-5-yl)propanamido]acetamido}-3-carbamoylpropanamido]butanedioic acid
null
null
null
InChI=1S/2C34H35N2.C15H11N2.Ir/c2*1-5-33-18-12-13-19-34(33,6-2)28-21-35-32-25-17-11-10-16-24(25)30-29(22(3)4)26(23-14-8-7-9-15-23)20-27(33)31(30)36(28)32;1-3-7-13(8-4-1)14-11-16-17(12-14)15-9-5-2-6-10-15;/h2*7-11,14-16,20-22H,5-6,12-13,18-19H2,1-4H3;1-9,11-12H;/q3*-1;+3
AGTQWMJHDCODMV-UHFFFAOYSA-N
C1(=CC=CC=C1)C1=CN2[N]([Ir+3]345([C-]6=CC=CC=C26)[C-]2=CC=CC6=C2C2=[N]3C=C3C7(C(C8=C(C6=C(C(C6=CC=CC=C6)=C8)C(C)C)N23)(CC)CCCC7)CC)=C1.C1(C2=CC3=C6C(C7=C([C-]4=CC=C7)C4=[N]5C=C(C5(C3(CC)CCCC5)CC)N64)=C2C(C)C)=CC=CC=C1
C83H81IrN6
null
null
null
null
null
null
InChI=1S/C38H38ClFN4O6Si/c1-19-31(37(47)48-5)33-32-22(17-39)18-44(27(32)16-29(34(33)41-19)50-51(6,7)38(2,3)4)36(46)30-15-21-13-24(9-11-28(21)49-30)42-35(45)26-14-20-12-23(40)8-10-25(20)43-26/h8-16,22,41,43H,17-18H2,1-7H3,(H,42,45)/t22-/m1/s1
AGTZSTOPZJPQDJ-JOCHJYFZSA-N
COC(=O)C1=C(C)NC2=C1C1=C(C=C2O[Si](C)(C)C(C)(C)C)N(C[C@H]1CCl)C(=O)C1=CC2=CC(NC(=O)C3=CC4=CC(F)=CC=C4N3)=CC=C2O1
C38H38ClFN4O6Si
COC(=O)C1=C(C)NC2=C1C1=C(C=C2O[Si](C)(C)C(C)(C)C)N(CC1CCl)C(=O)C1=CC2=CC(NC(=O)C3=CC4=CC(F)=CC=C4N3)=CC=C2O1
null
methyl (8S)-4-[(tert-butyldimethylsilyl)oxy]-8-(chloromethyl)-6-[5-(5-fluoro-1H-indole-2-amido)-1-benzofuran-2-carbonyl]-2-methyl-3H,6H,7H,8H-pyrrolo[3,2-e]indole-1-carboxylate
null
null
null
InChI=1S/C41H45F3N4O2/c1-2-3-5-10-32-14-16-35(17-15-32)30-48(39(49)23-20-33-18-21-36(22-19-33)41(42,43)44)38(29-34-11-6-4-7-12-34)40(50)47-27-25-46(26-28-47)31-37-13-8-9-24-45-37/h4,6-9,11-24,38H,2-3,5,10,25-31H2,1H3/b23-20+/t38-/m0/s1
AGUHSCCCVWOGJD-KSCIYPDBSA-N
CCCCCC1=CC=C(CN([C@@H](CC2=CC=CC=C2)C(=O)N2CCN(CC3=CC=CC=N3)CC2)C(=O)\C=C\C2=CC=C(C=C2)C(F)(F)F)C=C1
C41H45F3N4O2
CCCCCC1=CC=C(CN(C(CC2=CC=CC=C2)C(=O)N2CCN(CC3=CC=CC=N3)CC2)C(=O)C=CC2=CC=C(C=C2)C(F)(F)F)C=C1
(E)-N-[(2S)-1-oxo-3-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
(2E)-N-[(2S)-1-oxo-3-phenyl-1-{4-[(pyridin-2-yl)methyl]piperazin-1-yl}propan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
{"intermediateNodes":[],"alternativeParents":["CHEMONTID:0004551","CHEMONTID:0000060","CHEMONTID:0000188","CHEMONTID:0004708","CHEMONTID:0000037","CHEMONTID:0003899","CHEMONTID:0003357","CHEMONTID:0004144","CHEMONTID:0001664","CHEMONTID:0002239","CHEMONTID:0004139","CHEMONTID:0004150","CHEMONTID:0001831","CHEMONTID:000...
{"wo":1,"ep":2,"us":2}
null
InChI=1S/C21H25N3O2/c1-23-20(25)17-13-8-14-24(17)21(26)19(22)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17-19H,8,13-14,22H2,1H3,(H,23,25)/t17-,19+/m0/s1
AGUIOJHVXCEFBZ-PKOBYXMFSA-N
CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(C1=CC=CC=C1)C1=CC=CC=C1
C21H25N3O2
CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1
(2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
(2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
{"alternativeParents":["CHEMONTID:0004322","CHEMONTID:0000369","CHEMONTID:0002309","CHEMONTID:0002256","CHEMONTID:0003023","CHEMONTID:0003899","CHEMONTID:0001664","CHEMONTID:0001663","CHEMONTID:0004139","CHEMONTID:0003940","CHEMONTID:0000469","CHEMONTID:0004150","CHEMONTID:0001831"],"directParent":"CHEMONTID:0004830","...
null
null
InChI=1S/C15H14N3.BrH/c1-2-6-14(7-3-1)12-17-10-11-18(13-17)15-8-4-5-9-16-15;/h1-11,13H,12H2;1H/q+1;/p-1
AGUKYBKPIURMRY-UHFFFAOYSA-M
[Br-].C(N1C=C[N+](=C1)C1=CC=CC=N1)C1=CC=CC=C1
C15H14BrN3
C1=CC=C(C=C1)C[N+]2=CN(C=C2)C3=CC=CC=N3.[Br-]
2-(3-benzylimidazol-3-ium-1-yl)pyridine;bromide
3-benzyl-1-(pyridin-2-yl)-3H-1λ⁵-imidazol-1-ylium bromide
{"alternativeParents":["CHEMONTID:0002311","CHEMONTID:0002279","CHEMONTID:0004144","CHEMONTID:0004139","CHEMONTID:0000278","CHEMONTID:0003930","CHEMONTID:0004150","CHEMONTID:0003609"],"directParent":"CHEMONTID:0000089","intermediateNodes":[],"kingdom":"CHEMONTID:0000000","molecularFramework":"Aromatic heteromonocyclic ...
{"ep":3,"us":5,"wo":2}
null
InChI=1S/C20H16Cl2N6O3S/c1-23-32(30,31)20-18(28-11-24-16-8-12(21)2-3-15(16)19(28)29)25-17-9-14(5-7-27(17)20)26-6-4-13(22)10-26/h2-10,23-24H,11H2,1H3
AGULGWURFKICAD-UHFFFAOYSA-N
CN[S](=O)(=O)C1=C(N=C2C=C(C=CN12)N1C=CC(Cl)=C1)N1CNC2=CC(Cl)=CC=C2C1=O
C20H16Cl2N6O3S
null
null
7-(3-chloro-1H-pyrrol-1-yl)-2-(7-chloro-4-oxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide
null
null
null
InChI=1S/C12H15N3O3/c1-16-11-7-17-3-2-9(11)18-10-4-12(14)15-6-8(10)5-13/h4,6,9,11H,2-3,7H2,1H3,(H2,14,15)/t9-,11-/m0/s1
AGUODGJMGLROAR-ONGXEEELSA-N
CO[C@H]1COCC[C@@H]1OC2=CC(=NC=C2C#N)N
C12H15N3O3
COC1COCCC1OC2=CC(=NC=C2C#N)N
6-amino-4-[(3S,4S)-3-methoxyoxan-4-yl]oxypyridine-3-carbonitrile
6-amino-4-{[(3S,4S)-3-methoxyoxan-4-yl]oxy}pyridine-3-carbonitrile
null
null
null
InChI=1S/C24H23ClF2N4O3S/c1-5-22-14(3)17(12-35-22)15-10-18(25)21(9-13(15)2)33-11-16-19(31-24(32)30(4)28-29-31)7-6-8-20(16)34-23(26)27/h6-10,12,23H,5,11H2,1-4H3
AGUSJAKKNLLWER-UHFFFAOYSA-N
CCC1=C(C)C(=CS1)C1=CC(Cl)=C(OCC2=C(C=CC=C2OC(F)F)N2N=NN(C)C2=O)C=C1C
C24H23ClF2N4O3S
null
null
1-(2-{[2-chloro-4-(5-ethyl-4-methylthiophen-3-yl)-5-methylphenoxy]methyl}-3-(difluoromethoxy)phenyl)-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C20H13F8N5OS/c1-3-7-32(16(34)14-29-8-12(9-30-14)18(21,22)20(26,27)28)15-17(35-4-2)33-10-11(19(23,24)25)5-6-13(33)31-15/h1,5-6,8-10H,4,7H2,2H3
AGUUBHBPUDNCGO-UHFFFAOYSA-N
CCSC1=C(N=C2C=CC(=CN12)C(F)(F)F)N(CC#C)C(=O)C1=NC=C(C=N1)C(F)(F)C(F)(F)F
C20H13F8N5OS
null
null
N-[3-(ethylsulfanyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-(1,1,2,2,2-pentafluoroethyl)-N-(prop-2-yn-1-yl)pyrimidine-2-carboxamide
null
null
null
InChI=1S/C20H18N2O5/c1-24-20(23)19(22-25-2)18-8-4-3-6-16(18)14-26-13-15(12-21)9-10-17-7-5-11-27-17/h3-11,13H,14H2,1-2H3/b10-9+,15-13-,22-19+
AGUUJEXDAZXHNG-GWSNZXNOSA-N
CO\N=C(\C(=O)OC)C1=C(CO\C=C(\C=C\C2=CC=CO2)/C#N)C=CC=C1
C20H18N2O5
null
null
methyl (2E)-2-[2-({[(1Z)-2-cyano-2-[(E)-2-(furan-2-yl)ethenyl]eth-1-en-1-yl]oxy}methyl)phenyl]-2-(methoxyimino)acetate
null
null
null
InChI=1S/C26H30O4/c1-15(24-16(2)20-10-8-18(27-6)12-22(20)29-24)14-26(4,5)25-17(3)21-11-9-19(28-7)13-23(21)30-25/h8-13,15H,14H2,1-7H3
AGUUMHBKYZWODU-UHFFFAOYSA-N
COC1=CC=C2C(C)=C(OC2=C1)C(C)CC(C)(C)C1=C(C)C2=CC=C(OC)C=C2O1
C26H30O4
null
null
6-methoxy-2-[4-(6-methoxy-3-methyl-1-benzofuran-2-yl)-4-methylpentan-2-yl]-3-methyl-1-benzofuran
null
null
null
InChI=1S/C16H11F2N5OS/c1-25-9-11-7-22-23(8-11)15-13(18)2-12(17)3-14(15)24-16-20-5-10(4-19)6-21-16/h2-3,5-8H,9H2,1H3
AGUWISINFRISNX-UHFFFAOYSA-N
CSCC1=CN(N=C1)C1=C(OC2=NC=C(C=N2)C#N)C=C(F)C=C1F
C16H11F2N5OS
null
null
2-(3,5-difluoro-2-{4-[(methylsulfanyl)methyl]-1H-pyrazol-1-yl}phenoxy)pyrimidine-5-carbonitrile
null
null
null
InChI=1S/C28H35N3O5/c1-19-5-7-20(8-6-19)18-31-15-3-4-24(26(32)29-35)25(28(31)34)27(33)30-16-13-22(14-17-30)21-9-11-23(36-2)12-10-21/h5-12,22,24-25,35H,3-4,13-18H2,1-2H3,(H,29,32)/t24-,25-/m0/s1
AGUXWMDQTOPPSN-DQEYMECFSA-N
COC1=CC=C(C=C1)C1CCN(CC1)C(=O)[C@@H]1[C@H](CCCN(CC2=CC=C(C)C=C2)C1=O)C(=O)NO
C28H35N3O5
null
null
(3S,4S)-N-hydroxy-3-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]-2-oxoazepane-4-carboxamide
null
null
null
InChI=1S/C11H10N4/c12-7-9-6-10(14-15-11(9)13)8-4-2-1-3-5-8/h1-5,9H,6H2,(H2,13,15)
AGUXYJQYDATZLV-UHFFFAOYSA-N
NC1=NN=C(CC1C#N)C1=CC=CC=C1
C11H10N4
null
null
3-amino-6-phenyl-4,5-dihydropyridazine-4-carbonitrile
null
null
null
InChI=1S/C20H27N7O6S/c1-25-18(29)15(12-23-25)17(28)16-19(30)26(20(31)27(24-16)10-8-21)9-5-11-34(22,32)13-33-14-6-3-2-4-7-14/h12,14,22,29H,2-7,9-11,13H2,1H3
AGUZEDOCUFRIEQ-UHFFFAOYSA-N
CN1N=CC(C(=O)C2=NN(CC#N)C(=O)N(CCC[S](=N)(=O)COC3CCCCC3)C2=O)=C1O
C20H27N7O6S
null
null
2-[4-(3-{[(cyclohexyloxy)methyl](imino)oxo-λ⁶-sulfanyl}propyl)-6-(5-hydroxy-1-methyl-1H-pyrazole-4-carbonyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl]acetonitrile
null
null
null
InChI=1S/C36H38FNO5/c1-25-28(10-6-14-33(25)37)9-3-4-24-43-30-21-18-27(19-22-30)17-20-29-11-5-13-32-31(12-7-15-34(39)40)26(2)38(36(29)32)23-8-16-35(41)42/h5-6,10-11,13-14,18-19,21-22H,3-4,7-9,12,15-16,23-24H2,1-2H3,(H,39,40)(H,41,42)
AGUZWUNQAJUHQG-UHFFFAOYSA-N
CC1=C(C=CC=C1F)CCCCOC2=CC=C(C=C2)C#CC3=C4C(=CC=C3)C(=C(N4CCCC(=O)O)C)CCCC(=O)O
C36H38FNO5
CC1=C(C=CC=C1F)CCCCOC2=CC=C(C=C2)C#CC3=C4C(=CC=C3)C(=C(N4CCCC(=O)O)C)CCCC(=O)O
4-[1-(3-carboxypropyl)-7-[2-[4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-3-yl]butanoic acid
4-[1-(3-carboxypropyl)-7-(2-{4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl}ethynyl)-2-methyl-1H-indol-3-yl]butanoic acid
{"alternativeParents":["CHEMONTID:0004196","CHEMONTID:0004742","CHEMONTID:0002341","CHEMONTID:0001091","CHEMONTID:0000128","CHEMONTID:0001100","CHEMONTID:0002257","CHEMONTID:0001031","CHEMONTID:0000346","CHEMONTID:0004144","CHEMONTID:0004139","CHEMONTID:0001205","CHEMONTID:0001831","CHEMONTID:0004150","CHEMONTID:000394...
{"ca":2,"cn":1,"ep":1,"jp":3,"tw":1,"us":2,"za":1}
null
InChI=1S/C32H27F4N5O2/c33-21-3-1-2-20(10-21)16-42-31-9-7-23(12-28(31)36)40-32-26-13-25(27(35)14-30(26)38-18-39-32)29(8-6-19-4-5-19)41-43-17-24-11-22(34)15-37-24/h1-3,7,9-10,12-14,18-19,22,24,37H,4-5,11,15-17H2,(H,38,39,40)/b41-29+/t22-,24-/m0/s1
AGUZXGVVXXMFNZ-RFDNZDEHSA-N
F[C@@H]1CN[C@H](CO\N=C(/C#CC2CC2)C2=CC3=C(C=C2F)N=CN=C3NC2=CC(F)=C(OCC3=CC(F)=CC=C3)C=C2)C1
C32H27F4N5O2
null
null
6-[(1E)-3-cyclopropyl-1-({[(2S,4S)-4-fluoropyrrolidin-2-yl]methoxy}imino)prop-2-yn-1-yl]-7-fluoro-N-{3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl}quinazolin-4-amine
null
null
null
InChI=1S/C51H76N16O13/c1-4-27(2)41(48(76)64-37(51(79)80)19-29-11-6-5-7-12-29)65-46(74)36(22-40(55)70)63-47(75)38-14-10-18-67(38)50(78)33(13-8-9-17-52)60-49(77)42(28(3)68)66-45(73)35(21-31-24-57-26-59-31)62-44(72)34(20-30-23-56-25-58-30)61-43(71)32(53)15-16-39(54)69/h5-7,11-12,23-28,32-38,41-42,68H,4,8-10,13-22,52-53H2,...
AGVCWOWTGSACIC-YEJBFHPVSA-N
CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
C51H76N16O13
null
null
(2S)-2-[(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-5-yl)propanamido]-3-(1H-imidazol-5-yl)propanamido]-3-hydroxybutanamido]hexanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]-3-methylpentanamido]-3-phenylpropanoic acid
null
null
null
InChI=1S/C26H26ClF4N3O7S/c1-3-39-23(37)17-11-25(40-6-7-41-25)12-33(17)22(36)21(13-4-5-13)42-18-9-16(15(28)8-14(18)27)34-20(35)10-19(26(29,30)31)32(2)24(34)38/h8-10,13,17,21H,3-7,11-12H2,1-2H3
AGVGTSZGEIGMCI-UHFFFAOYSA-N
CCOC(=O)C1CC2(CN1C(=O)C(SC1=CC(N3C(=O)C=C(N(C)C3=O)C(F)(F)F)=C(F)C=C1Cl)C1CC1)OCCO2
C26H26ClF4N3O7S
null
null
ethyl 7-[2-({2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenyl}sulfanyl)-2-cyclopropylacetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
null
null
null
InChI=1S/C26H23Cl2FO3/c1-4-12-9-14(27)10-13(5-2)18(12)19-23(30)20-21(24(19)31)26(3)11-16(25(20)32-26)15-7-6-8-17(29)22(15)28/h6-11,20-21,25,30H,4-5H2,1-3H3
AGVHBNVHICAMII-UHFFFAOYSA-N
CCC1=CC(Cl)=CC(CC)=C1C1=C(O)C2C3OC(C)(C=C3C3=C(Cl)C(F)=CC=C3)C2C1=O
C26H23Cl2FO3
CCC1=CC(Cl)=CC(CC)=C1C1=C(O)C2C3OC(C)(C=C3C3=C(Cl)C(F)=CC=C3)C2C1=O
null
4-(4-chloro-2,6-diethylphenyl)-8-(2-chloro-3-fluorophenyl)-5-hydroxy-1-methyl-10-oxatricyclo[5.2.1.0²,⁶]deca-4,8-dien-3-one
null
null
null
InChI=1S/C13H16O4/c1-7-3-8-4-9-10(6-17-11(9)14)13(8,5-7)12(15)16-2/h8-10H,1,3-6H2,2H3/t8-,9-,10-,13+/m0/s1
AGVIODYECKNLKQ-KGLPCHLCSA-N
[H][C@@]12CC(=C)C[C@]1(C(=O)OC)[C@@]1([H])COC(=O)[C@@]1([H])C2
C13H16O4
null
null
methyl (1R,2S,6S,8R)-10-methylidene-5-oxo-4-oxatricyclo[6.3.0.0²,⁶]undecane-1-carboxylate
null
null
null
InChI=1S/C22H24Cl2N2O/c1-26(2)22-11-18(14-3-7-16(23)8-4-14)21(20(13-22)25-27)19(12-22)15-5-9-17(24)10-6-15/h3-10,18-19,21,27H,11-13H2,1-2H3/t18-,19-,21?,22?/m0/s1
AGVITXYHTDRRPE-NMBACWPLSA-N
CN(C)C12C[C@H](C([C@@H](C1)C1=CC=C(Cl)C=C1)C(C2)=NO)C1=CC=C(Cl)C=C1
C22H24Cl2N2O
CN(C)C12CC(C(C(C1)C1=CC=C(Cl)C=C1)C(C2)=NO)C1=CC=C(Cl)C=C1
null
(3R,5R)-3,5-bis(4-chlorophenyl)-8-(hydroxyimino)-N,N-dimethylbicyclo[2.2.2]octan-1-amine
null
null
null
InChI=1S/C27H31ClN2O.2ClH/c1-22-7-13-26(14-8-22)31-20-19-29-15-17-30(18-16-29)27(21-23-5-3-2-4-6-23)24-9-11-25(28)12-10-24;;/h2-14,27H,15-21H2,1H3;2*1H
AGVKUAOWUUIJCU-UHFFFAOYSA-N
CC1=CC=C(OCCN2CCN(CC2)C(CC2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1.Cl.Cl
C27H33Cl3N2O
null
null
1-[1-(4-chlorophenyl)-2-phenylethyl]-4-[2-(4-methylphenoxy)ethyl]piperazine dihydrochloride
null
null
null
InChI=1S/C23H39N3O2/c1-5-16(2)19(27)26-8-6-18(7-9-26)24-20(28)25-23-12-17-10-21(3,14-23)13-22(4,11-17)15-23/h16-18H,5-15H2,1-4H3,(H2,24,25,28)/t16-,17?,21?,22?,23?/m0/s1
AGVPMNXCVNQQKL-AMHCNSHJSA-N
CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2
C23H39N3O2
null
null
1-(3,5-dimethyladamantan-1-yl)-3-{1-[(2S)-2-methylbutanoyl]piperidin-4-yl}urea
null
null
null
InChI=1S/C23H33N5O2S/c1-26(13-14-29)23(31)24-8-12-27-9-5-17(6-10-27)16-28-11-7-18-15-25-22(30)19-3-2-4-20(28)21(18)19/h2-4,15,17,29H,5-14,16H2,1H3,(H,24,31)(H,25,30)
AGVQOQXGSHFUMT-UHFFFAOYSA-N
CN(CCO)C(=S)NCCN1CCC(CN2CCC3=CNC(=O)C4=CC=CC2=C34)CC1
C23H33N5O2S
null
null
3-(2-hydroxyethyl)-3-methyl-1-{2-[4-({8-oxo-2,7-diazatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,9,11-tetraen-2-yl}methyl)piperidin-1-yl]ethyl}thiourea
null
null
null
InChI=1S/C25H18F6N6O3S/c1-2-41(39,40)18-9-14(17-10-15(7-8-32-17)24(26,27)28)12-34-20(18)21-23(38)37(16-4-5-16)22(36-35-21)13-3-6-19(33-11-13)25(29,30)31/h3,6-12,16H,2,4-5H2,1H3
AGVVFAGXFOPRRH-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=CC(=C1)C1=CC(=CC=N1)C(F)(F)F)C1=NN=C(N(C2CC2)C1=O)C1=CN=C(C=C1)C(F)(F)F
C25H18F6N6O3S
null
null
4-cyclopropyl-6-[5'-(ethanesulfonyl)-4-(trifluoromethyl)-[2,3'-bipyridin]-6'-yl]-3-[6-(trifluoromethyl)pyridin-3-yl]-4,5-dihydro-1,2,4-triazin-5-one
null
null
null
InChI=1S/C21H19NO2S3/c23-27(24,20-14-8-3-9-15-20)22-21(25-16-18-10-4-1-5-11-18)26-17-19-12-6-2-7-13-19/h1-15H,16-17H2
AGVWMIACDUEKKT-UHFFFAOYSA-N
O=[S](=O)(N=C(SCC1=CC=CC=C1)SCC1=CC=CC=C1)C1=CC=CC=C1
C21H19NO2S3
null
null
N-[bis(benzylsulfanyl)methylidene]benzenesulfonamide
null
null
null
InChI=1S/C60H33NO2S2/c1-2-11-41-39(9-1)40-10-3-4-12-42(40)50-31-35(19-24-43(41)50)34-17-20-36(21-18-34)61(37-22-25-48-53(32-37)62-51-29-27-46-44-13-5-7-15-55(44)64-59(46)57(48)51)38-23-26-49-54(33-38)63-52-30-28-47-45-14-6-8-16-56(45)65-60(47)58(49)52/h1-33H
AGVYAQWVLPFICL-UHFFFAOYSA-N
O1C2=CC(=CC=C2C2=C1C=CC1=C2SC2=CC=CC=C12)N(C1=CC=C(C=C1)C1=CC2=C3C=CC=CC3=C3C=CC=CC3=C2C=C1)C1=CC=C2C(OC3=C2C2=C(C=C3)C3=CC=CC=C3S2)=C1
C60H33NO2S2
null
null
N-{9-oxa-20-thiapentacyclo[11.7.0.0²,¹⁰.0³,⁸.0¹⁴,¹⁹]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-6-yl}-N-[4-(triphenylen-2-yl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.0²,¹⁰.0³,⁸.0¹⁴,¹⁹]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-6-amine
null
null
null
InChI=1S/C17H17BrClFN4O5S/c1-5-6-21-16(26)17(2,3)29-15(25)13-10(19)7-11(20)14(22-13)12-9(18)8-24(23-12)30(4,27)28/h5,7-8H,1,6H2,2-4H3,(H,21,26)
AGVZWXXRKCWARY-UHFFFAOYSA-N
CC(C)(OC(=O)C1=NC(C2=NN(C=C2Br)[S](C)(=O)=O)=C(F)C=C1Cl)C(=O)NCC=C
C17H17BrClFN4O5S
null
null
1-methyl-1-[(prop-2-en-1-yl)carbamoyl]ethyl 6-(4-bromo-1-methanesulfonyl-1H-pyrazol-3-yl)-3-chloro-5-fluoropyridine-2-carboxylate
null
null
null
InChI=1S/C21H18F3N5O4/c1-4-29(11-12-5-6-26-14(7-12)10-25)19(30)17-15(31-2)8-13(9-16(17)32-3)18-27-20(33-28-18)21(22,23)24/h5-9H,4,11H2,1-3H3
AGWCFYGULGEPTQ-UHFFFAOYSA-N
CCN(CC1=CC=NC(=C1)C#N)C(=O)C1=C(OC)C=C(C=C1OC)C1=NOC(=N1)C(F)(F)F
C21H18F3N5O4
null
null
N-[(2-cyanopyridin-4-yl)methyl]-N-ethyl-2,6-dimethoxy-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
null
null
null
InChI=1S/C24H25Cl2F3N2O3S/c1-7-31-21(32)17(18(20(26)30-31)34-22(33)23(4,5)6)16-14-8-11(2)9-15(25)13(14)10-12(3)19(16)35-24(27,28)29/h8-9,12H,7,10H2,1-6H3
AGWDITYKLPKBNF-UHFFFAOYSA-N
CCN1N=C(Cl)C(OC(=O)C(C)(C)C)=C(C1=O)C1=C(SC(F)(F)F)C(C)CC2=C(Cl)C=C(C)C=C12
C24H25Cl2F3N2O3S
null
null
3-chloro-5-{5-chloro-3,7-dimethyl-2-[(trifluoromethyl)sulfanyl]-3,4-dihydronaphthalen-1-yl}-1-ethyl-6-oxo-1,6-dihydropyridazin-4-yl 2,2-dimethylpropanoate
null
null
null
InChI=1S/C25H28Cl2F3NS2/c1-17(2)9-4-5-10-18(3)33-23(15-16-32-24-20(26)12-8-13-21(24)27)31-22-14-7-6-11-19(22)25(28,29)30/h6-8,11-18H,4-5,9-10H2,1-3H3/b16-15+,31-23?
AGWIIOMGPONDCI-RGAWMJJGSA-N
CC(C)CCCCC(C)SC(\C=C\SC1=C(Cl)C=CC=C1Cl)=NC1=C(C=CC=C1)C(F)(F)F
C25H28Cl2F3NS2
null
null
(2E)-3-[(2,6-dichlorophenyl)sulfanyl]-1-[(7-methyloctan-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]prop-2-en-1-imine
null
null
null
InChI=1S/C41H35BrN4O6S2/c1-49-34-12-30-32(43-17-28-10-26-3-5-53-38(26)19-45(28)40(30)47)14-36(34)51-21-24-7-23(16-42)8-25(9-24)22-52-37-15-33-31(13-35(37)50-2)41(48)46-20-39-27(4-6-54-39)11-29(46)18-44-33/h3-9,12-15,17-18,28-29H,10-11,16,19-22H2,1-2H3/t28-,29-/m0/s1
AGWKULKVTQHNRL-VMPREFPWSA-N
COC1=C(C=C2C(=C1)C(=O)N3CC4=C(C[C@H]3C=N2)C=CS4)OCC5=CC(=CC(=C5)CBr)COC6=C(C=C7C(=C6)N=C[C@@H]8CC9=C(CN8C7=O)SC=C9)OC
C41H35BrN4O6S2
COC1=C(C=C2C(=C1)C(=O)N3CC4=C(CC3C=N2)C=CS4)OCC5=CC(=CC(=C5)CBr)COC6=C(C=C7C(=C6)N=CC8CC9=C(CN8C7=O)SC=C9)OC
(11S)-6-[[3-(bromomethyl)-5-[[(11S)-5-methoxy-2-oxo-16-thia-1,9-diazatetracyclo[9.7.0.03,8.013,17]octadeca-3,5,7,9,13(17),14-hexaen-6-yl]oxymethyl]phenyl]methoxy]-5-methoxy-16-thia-1,9-diazatetracyclo[9.7.0.03,8.013,17]octadeca-3,5,7,9,13(17),14-hexaen-2-one
(11S)-6-{[3-(bromomethyl)-5-({[(11S)-5-methoxy-2-oxo-16-thia-1,9-diazatetracyclo[9.7.0.0³,⁸.0¹³,¹⁷]octadeca-3,5,7,9,13(17),14-hexaen-6-yl]oxy}methyl)phenyl]methoxy}-5-methoxy-16-thia-1,9-diazatetracyclo[9.7.0.0³,⁸.0¹³,¹⁷]octadeca-3,5,7,9,13(17),14-hexaen-2-one
null
null
null
InChI=1S/C20H17ClF2N6O3S/c1-10-18(33-11(2)25-10)14-7-13(21)17(8-24-14)31-9-12-15(29-20(30)28(3)26-27-29)5-4-6-16(12)32-19(22)23/h4-8,19H,9H2,1-3H3
AGWNFZSMWKEJKL-UHFFFAOYSA-N
CN1N=NN(C1=O)C1=C(COC2=CN=C(C=C2Cl)C2=C(C)N=C(C)S2)C(OC(F)F)=CC=C1
C20H17ClF2N6O3S
null
null
1-[2-({[4-chloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridin-3-yl]oxy}methyl)-3-(difluoromethoxy)phenyl]-4-methyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
null
null
null
InChI=1S/C24H14Br2ClF7N2O2S/c25-17-10-16(39-24(33,34)22(28,29)23(30,31)32)11-18(26)20(17)36-21(38)13-2-1-3-15(9-13)35-19(37)8-12-4-6-14(27)7-5-12/h1-7,9-11H,8H2,(H,35,37)(H,36,38)
AGWNUCPONPEWFH-UHFFFAOYSA-N
FC(F)(F)C(F)(F)C(F)(F)SC1=CC(Br)=C(NC(=O)C2=CC(NC(=O)CC3=CC=C(Cl)C=C3)=CC=C2)C(Br)=C1
C24H14Br2ClF7N2O2S
null
null
3-[2-(4-chlorophenyl)acetamido]-N-{2,6-dibromo-4-[(1,1,2,2,3,3,3-heptafluoropropyl)sulfanyl]phenyl}benzamide
null
null
null
InChI=1S/C71H83N19O18S5/c1-13-26(3)47-62(104)77-30(7)57(99)75-28(5)55(97)73-20-46(94)90-71-18-17-39(65-84-42(22-110-65)58(100)76-29(6)56(98)74-27(4)54(72)96)80-52(71)41-21-111-66(82-41)49(33(10)108-68(106)40-19-36(31(8)91)35-15-16-38(78-47)51(95)50(35)79-40)88-59(101)43-24-112-67(85-43)53(70(12,107)34(11)93)89-61(103)4...
AGWORQGBJYMMNW-LHAOBFGKSA-N
[H][C@]12CSC(=N1)\C(NC(=O)C(NC(=O)C1=CSC(=N1)[C@@]13CCC(=N[C@]1([H])C1=CSC(=N1)[C@@]([H])(NC(=O)C1=CSC(=N1)[C@@]([H])(NC2=O)[C@](C)(O)[C@@H](C)O)[C@@H](C)OC(=O)C1=CC([C@H](C)O)=C2C=C[C@@H](NC([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NC(=C)C(=O)NCC(=O)N3)C([H])(O)C2=N1)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)[C@@H](C)O)=C\C
C71H83N19O18S5
null
null
2-({2-[(1R,11Z,15S,18S,25S,26R,35R,40S,53S)-37-[(2S)-butan-2-yl]-18-[(2S,3R)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-60-[(1S)-1-hydroxyethyl]-26,40-dimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,30,36,39,42,45,48,52,58,62,63,64-pentadeca...
null
null
null
InChI=1S/C23H20F6N4O3S2/c1-4-38(35,36)21-19(30-17-9-13(7-8-32(17)21)11-22(24,25)26)18-20(34)15-10-14(37-23(27,28)29)5-6-16(15)33(31-18)12(2)3/h5-10,12H,4,11H2,1-3H3
AGWQOIPYFXXEFU-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=C2C=C(CC(F)(F)F)C=CN12)C1=NN(C(C)C)C2=CC=C(SC(F)(F)F)C=C2C1=O
C23H20F6N4O3S2
null
null
3-[3-(ethanesulfonyl)-7-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-2-yl]-1-(propan-2-yl)-6-[(trifluoromethyl)sulfanyl]-1,4-dihydrocinnolin-4-one
null
null
null
InChI=1S/C25H17FN2O4/c1-15-8-10-17(11-9-15)23-27-24(32-28-23)20-13-18-5-3-7-21(22(18)31-25(20)29)30-14-16-4-2-6-19(26)12-16/h2-13H,14H2,1H3
AGWUAMXCWCOSAB-UHFFFAOYSA-N
CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC4=C(C(=CC=C4)OCC5=CC(=CC=C5)F)OC3=O
C25H17FN2O4
CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC4=C(C(=CC=C4)OCC5=CC(=CC=C5)F)OC3=O
8-[(3-fluorophenyl)methoxy]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
8-[(3-fluorophenyl)methoxy]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one
{"alternativeParents":["CHEMONTID:0004354","CHEMONTID:0003410","CHEMONTID:0002341","CHEMONTID:0001091","CHEMONTID:0000481","CHEMONTID:0000128","CHEMONTID:0001100","CHEMONTID:0001031","CHEMONTID:0004144","CHEMONTID:0000050","CHEMONTID:0004140","CHEMONTID:0004139","CHEMONTID:0001517","CHEMONTID:0004557","CHEMONTID:000027...
null
null
InChI=1S/C26H34FN3/c1-7-8-9-17-30(6)29-25(20(2)22-11-10-16-28-19-22)23-13-12-21(18-24(23)27)14-15-26(3,4)5/h10-13,16,18-20H,7-9,17H2,1-6H3
AGWWLXFOPDDBKE-UHFFFAOYSA-N
CCCCCN(C)N=C(C(C)C1=CN=CC=C1)C1=C(F)C=C(C=C1)C#CC(C)(C)C
C26H34FN3
null
null
3-{1-[4-(3,3-dimethylbut-1-yn-1-yl)-2-fluorophenyl]-1-(2-methyl-2-pentylhydrazin-1-ylidene)propan-2-yl}pyridine
null
null
null
InChI=1S/C20H20F3N5O3S2/c1-2-33(30,31)18-17(25-15-10-13(12-5-6-12)7-9-26(15)18)27-8-3-4-14-24-16(32-20(21,22)23)11-28(14)19(27)29/h7,9-12H,2-6,8H2,1H3
AGWXOQLJXYHCFD-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=C2C=C(C=CN12)C1CC1)N1CCCC2=NC(SC(F)(F)F)=CN2C1=O
C20H20F3N5O3S2
null
null
6-[7-cyclopropyl-3-(ethanesulfonyl)imidazo[1,2-a]pyridin-2-yl]-2-[(trifluoromethyl)sulfanyl]-5H,6H,7H,8H,9H-imidazo[1,2-c][1,3]diazepin-5-one
null
null
null
InChI=1S/C15H12ClNS2/c16-12-5-7-13(8-6-12)19-15(18)17-10-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2
AGWYKWNXIKEOIU-UHFFFAOYSA-N
ClC1=CC=C(SC(=S)N2CCC3=CC=CC=C23)C=C1
C15H12ClNS2
ClC1=CC=C(SC(=S)N2CCC3=CC=CC=C23)C=C1
null
4-chlorophenyl 2,3-dihydro-1H-indole-1-carbodithioate
null
null
null
InChI=1S/C16H8O8.H2O.O.V/c17-9-1-2-10(18)12-11(9)13(19)5-3-7(15(21)22)8(16(23)24)4-6(5)14(12)20;;;/h1-4,17-18H,(H,21,22)(H,23,24);1H2;;/q;;;+2/p-4
AGWYLCSJTVZMEA-UHFFFAOYSA-J
OC1=C2C(=O)C3=CC(C([O-])=O)=C(C=C3C3=[O][V++]([OH-])(=O)[O-]C(C=C1)=C23)C([O-])=O
C16H6O10V
null
null
10-hydroxy-15-oxido-8,15-dioxo-14λ³-oxa-16λ³-oxa-15-vanadatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-15,15-bis(ylium)-14-ide-4,5-dicarboxylate
null
null
null
InChI=1S/C64H109N17O21/c1-29(2)46(59(96)73-38(19-22-43(66)84)55(92)75-41(28-82)57(94)79-49(32(7)8)63(100)81-27-15-18-42(81)58(95)74-40(64(101)102)21-24-45(86)87)77-61(98)48(31(5)6)78-60(97)47(30(3)4)76-52(89)34(10)69-54(91)37(16-12-13-25-65)71-51(88)33(9)70-62(99)50(35(11)83)80-56(93)39(20-23-44(67)85)72-53(90)36-17-14...
AGXAVJPLBNXUHO-QZWFYPMFSA-N
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(O)=O
C64H109N17O21
null
null
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-[(2S)-4-carbamoyl-2-{[(2S)-pyrrolidin-2-yl]formamido}butanamido]-3-hydroxybutanamido]propanamido]hexanamido]propanamido]-3-methylbutanamido]-3-methylbutanamido]-3-methylbutanamido]-4-carbamoylbutanamido]-3-hydroxy...
null
null
null
InChI=1S/C26H36O12/c1-14(28)21(33-13-19-10-8-7-9-11-19)23(32-6)20(12-27)38-26-25(37-18(5)31)24(36-17(4)30)22(15(2)34-26)35-16(3)29/h7-12,14-15,20-26,28H,13H2,1-6H3/t14-,15-,20-,21-,22-,23-,24+,25+,26-/m0/s1
AGXCMJGVBKRUDJ-CLQGTSSQSA-N
CO[C@@H]([C@@H](O[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C=O)[C@@H](OCC1=CC=CC=C1)[C@H](C)O
C26H36O12
null
null
(2S,3S,4R,5R,6S)-4,5-bis(acetyloxy)-6-{[(2R,3R,4S,5S)-4-(benzyloxy)-5-hydroxy-3-methoxy-1-oxohexan-2-yl]oxy}-2-methyloxan-3-yl acetate
null
null
null
InChI=1S/C10H10ClN3/c1-2-3-10(13-14-12)8-4-6-9(11)7-5-8/h2,4-7,10H,1,3H2
AGXFKZHQXJWTIK-UHFFFAOYSA-N
ClC1=CC=C(C=C1)C(CC=C)N=[N+]=[N-]
C10H10ClN3
null
null
1-(1-azidobut-3-en-1-yl)-4-chlorobenzene
null
null
null
InChI=1S/C19H25N5S.C2HF3O2/c1-15-5-2-3-6-17(15)14-25-18-16(7-4-8-22-18)13-23-9-11-24(12-10-23)19(20)21;3-2(4,5)1(6)7/h2-8H,9-14H2,1H3,(H3,20,21);(H,6,7)
AGXMZHHHGJWTNO-UHFFFAOYSA-N
OC(=O)C(F)(F)F.CC1=C(CSC2=C(CN3CCN(CC3)C(N)=N)C=CC=N2)C=CC=C1
C21H26F3N5O2S
null
null
4-[(2-{[(2-methylphenyl)methyl]sulfanyl}pyridin-3-yl)methyl]piperazine-1-carboximidamide; trifluoroacetic acid
null
null
null
InChI=1S/C17H26O4/c1-2-3-4-8-17(19-10-11-20-17)9-7-13-5-6-15-14(13)12-16(18)21-15/h7,14-15H,2-6,8-12H2,1H3/b13-7-/t14-,15+/m0/s1
AGXOSBNLWQRHPP-VBUBNCOFSA-N
[H][C@@]12CC\C(=C\CC3(CCCCC)OCCO3)[C@]1([H])CC(=O)O2
C17H26O4
[H]C12CCC(=CCC3(CCCCC)OCCO3)C1([H])CC(=O)O2
null
(3aS,4Z,6aR)-4-[2-(2-pentyl-1,3-dioxolan-2-yl)ethylidene]-hexahydro-2H-cyclopenta[b]furan-2-one
null
null
null
InChI=1S/C18H14F3N3O/c1-24(13-7-3-2-4-8-13)14-9-5-6-12(10-14)17-15(25)11-16(22-23-17)18(19,20)21/h2-11H,1H3,(H,22,25)
AGXRJARXWBEODH-UHFFFAOYSA-N
CN(C1=CC=CC=C1)C1=CC=CC(=C1)C1=C(O)C=C(N=N1)C(F)(F)F
C18H14F3N3O
null
null
3-{3-[methyl(phenyl)amino]phenyl}-6-(trifluoromethyl)pyridazin-4-ol
null
null
null
InChI=1S/C35H41Cl2F3N4O8S/c1-17-13-20(14-17)24-25(18(2)45)42-44(26-22(36)15-21(16-23(26)37)35(38,39)40)27(24)41-31(48)51-30(29(47)53-34(6,7)8)50-28(46)19-9-11-43(12-10-19)32(49)52-33(3,4)5/h15-16,19-20,30H,1,9-14H2,2-8H3,(H,41,48)
AGXSGWXFBHUXNC-UHFFFAOYSA-N
CC(=O)C1=NN(C(NC(=O)OC(OC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)SC(C)(C)C)=C1C1CC(=C)C1)C1=C(Cl)C=C(C=C1Cl)C(F)(F)F
C35H41Cl2F3N4O8S
null
null
4-{1-[({3-acetyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(3-methylidenecyclobutyl)-1H-pyrazol-5-yl}carbamoyl)oxy]-2-(tert-butylsulfanyl)-2-oxoethyl} 1-tert-butyl piperidine-1,4-dicarboxylate
null
null
null
InChI=1S/C30H33Cl2N3O11/c1-16(2)26(35-27(41)20(11-12-23(37)38)34-30(44)46-14-17-7-4-3-5-8-17)28(42)33-21(13-24(39)40)22(36)15-45-29(43)25-18(31)9-6-10-19(25)32/h3-10,16,20-21,26H,11-15H2,1-2H3,(H,33,42)(H,34,44)(H,35,41)(H,37,38)(H,39,40)/t20-,21-,26-/m0/s1
AGYCAJRXSJPXDG-WOVHNISZSA-N
CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)C1=C(Cl)C=CC=C1Cl
C30H33Cl2N3O11
CC(C)C(NC(=O)C(CCC(O)=O)NC(=O)OCC1=CC=CC=C1)C(=O)NC(CC(O)=O)C(=O)COC(=O)C1=C(Cl)C=CC=C1Cl
null
(3S)-3-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-carboxybutanamido]-3-methylbutanamido]-5-(2,6-dichlorobenzoyloxy)-4-oxopentanoic acid
null
null
null
InChI=1S/C6H9BrO4/c7-2-1-3(8)5(10)6(11)4(2)9/h1,3-6,8-11H/t3-,4-,5+,6+/m1/s1
AGYFAAMKMRARQB-ZXXMMSQZSA-N
O[C@@H]1C=C(Br)[C@@H](O)[C@H](O)[C@H]1O
C6H9BrO4
C1=C(C(C(C(C1O)O)O)O)Br
(1R,2S,3R,4S)-5-bromocyclohex-5-ene-1,2,3,4-tetrol
(1R,2S,3R,4S)-5-bromocyclohex-5-ene-1,2,3,4-tetrol
null
null
null
InChI=1S/C26H29FN6O/c1-4-32-12-9-18(10-13-32)19-7-8-21(22(27)14-19)16-33-24(20-6-5-11-28-15-20)30-23-17(2)29-26(34-3)31-25(23)33/h5-8,11,14-15,18H,4,9-10,12-13,16H2,1-3H3
AGYICJMUUVAHGP-UHFFFAOYSA-N
CCN1CCC(CC1)C2=CC(=C(C=C2)CN3C(=NC4=C(N=C(N=C43)OC)C)C5=CN=CC=C5)F
C26H29FN6O
CCN1CCC(CC1)C2=CC(=C(C=C2)CN3C(=NC4=C(N=C(N=C43)OC)C)C5=CN=CC=C5)F
9-[[4-(1-ethylpiperidin-4-yl)-2-fluorophenyl]methyl]-2-methoxy-6-methyl-8-pyridin-3-ylpurine
9-{[4-(1-ethylpiperidin-4-yl)-2-fluorophenyl]methyl}-2-methoxy-6-methyl-8-(pyridin-3-yl)-9H-purine
null
null
null
InChI=1S/C34H46N6O10/c1-33(2,3)49-23(43)15-17(35)31(47)39-13-11-37-19-7-8-20(38-12-14-40-32(48)18(36)16-24(44)50-34(4,5)6)26-25(19)29(45)27-21(41)9-10-22(42)28(27)30(26)46/h7-10,17-18,37-38,41-42H,11-16,35-36H2,1-6H3,(H,39,47)(H,40,48)/t17-,18-/m0/s1
AGYJQCOWTYWCMP-ROUUACIJSA-N
CC(C)(C)OC(=O)C[C@@H](C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)[C@H](CC(=O)OC(C)(C)C)N)C(=O)C3=C(C=CC(=C3C2=O)O)O)N
C34H46N6O10
CC(C)(C)OC(=O)CC(C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)C(CC(=O)OC(C)(C)C)N)C(=O)C3=C(C=CC(=C3C2=O)O)O)N
tert-butyl (3S)-3-amino-4-[2-[[4-[2-[[(2S)-2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethylamino]-4-oxobutanoate
tert-butyl (3S)-3-amino-3-[(2-{[4-({2-[(2S)-2-amino-4-(tert-butoxy)-4-oxobutanamido]ethyl}amino)-5,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}ethyl)carbamoyl]propanoate
{"alternativeParents":["CHEMONTID:0004317","CHEMONTID:0002309","CHEMONTID:0003670","CHEMONTID:0002458","CHEMONTID:0000324","CHEMONTID:0004646","CHEMONTID:0001096","CHEMONTID:0000346","CHEMONTID:0003890","CHEMONTID:0003889","CHEMONTID:0001663","CHEMONTID:0001238","CHEMONTID:0003940","CHEMONTID:0000469","CHEMONTID:000415...
{"ep":1,"us":1}
null
InChI=1S/C83H152N18O22S/c1-23-42(14)59(86)75(114)96-62(45(17)26-4)76(115)87-51(30-28-29-31-84)68(107)88-52(32-38(6)7)69(108)89-56(36-58(85)106)73(112)95-60(43(15)24-2)77(116)90-54(34-40(10)11)71(110)99-66(49(21)104)81(120)101-67(50(22)105)82(121)100-65(48(20)103)80(119)92-55(35-41(12)13)72(111)98-64(47(19)102)79(118)91...
AGYKNXQEEWKBOL-PUXIYSRDSA-N
CC[C@H](C)[C@H](N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H...
C83H152N18O22S
null
null
(2S,3S)-2-[(2R)-2-[(2S,3S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-methylpentanamido]hexanamido]-4-methylpentanamido]-3-carbamoylpropanamido]-3-methylpentanamido]-4-methylpentanamido]-3-hydroxybut...
null
null
null
InChI=1S/C17H20N2OS/c1-13-7-9-14(10-8-13)21(15-6-5-11-18-12-15)19-16(20)17(2,3)4/h5-12H,1-4H3/t21-/m0/s1
AGYLUCCUUXUJMM-NRFANRHFSA-N
CC1=CC=C(C=C1)[S@](=NC(=O)C(C)(C)C)C1=CN=CC=C1
C17H20N2OS
null
null
2,2-dimethyl-N-[(S)-(4-methylphenyl)(pyridin-3-yl)-λ⁴-sulfanylidene]propanamide
null
null
null
InChI=1S/C44H58N2O13S/c1-8-35-36(15-12-16-37(35)51-7)40(48)45(46(44(4,5)6)39(47)33-28-31(2)27-32(3)29-33)41(59-43(50)60-34-13-10-9-11-14-34)42(49)58-38-30-56-24-23-54-20-19-52-17-18-53-21-22-55-25-26-57-38/h9-16,27-29,38,41H,8,17-26,30H2,1-7H3
AGYRGQNSIRYMJJ-UHFFFAOYSA-N
CCC1=C(C=CC=C1OC)C(=O)N(C(OC(=O)SC1=CC=CC=C1)C(=O)OC1COCCOCCOCCOCCOCCO1)N(C(=O)C1=CC(C)=CC(C)=C1)C(C)(C)C
C44H58N2O13S
null
null
1,4,7,10,13,16-hexaoxacyclooctadecan-2-yl 2-[N-tert-butyl-1-(3,5-dimethylphenyl)-N'-(2-ethyl-3-methoxybenzoyl)formohydrazido]-2-{[(phenylsulfanyl)carbonyl]oxy}acetate
null
null
null
InChI=1S/C21H16F3N7O4S/c1-3-36(33,34)19-17(26-15-6-7-16(27-31(15)19)30-11-25-20(28-30)35-2)29-9-8-12-4-5-13(21(22,23)24)10-14(12)18(29)32/h4-11H,3H2,1-2H3
AGYRIJNPGQCVMJ-UHFFFAOYSA-N
CC[S](=O)(=O)C1=C(N=C2C=CC(=NN12)N1C=NC(OC)=N1)N1C=CC2=CC=C(C=C2C1=O)C(F)(F)F
C21H16F3N7O4S
null
null
2-[3-(ethanesulfonyl)-6-(3-methoxy-1H-1,2,4-triazol-1-yl)imidazo[1,2-b]pyridazin-2-yl]-7-(trifluoromethyl)-1,2-dihydroisoquinolin-1-one
null
null
null
InChI=1S/C22H46Si5/c1-24(2,3)21(25(4,5)6)18-19-22(26(7,8)9,27(10,11)12)23(21)20-16-14-13-15-17-20/h13-17,23H,18-19H2,1-12H3
AGYUEHLONCQKBY-UHFFFAOYSA-N
C[Si](C)(C)C1(CCC([SiH]1C1=CC=CC=C1)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
C22H46Si5
C[Si](C)(C)C1(CCC([SiH]1C1=CC=CC=C1)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
null
1-phenyl-2,2,5,5-tetrakis(trimethylsilyl)silolane
null
null
null
InChI=1S/C21H17Br2F2N3O/c1-4-5-9-29-17-8-6-7-14(19(17)23)18-12(2)27-28(3)21(18)26-20-15(24)10-13(22)11-16(20)25/h1,6-8,10-11,26H,5,9H2,2-3H3
AGYYASWZSUFTFL-UHFFFAOYSA-N
CN1N=C(C)C(=C1NC1=C(F)C=C(Br)C=C1F)C1=C(Br)C(OCCC#C)=CC=C1
C21H17Br2F2N3O
null
null
N-(4-bromo-2,6-difluorophenyl)-4-[2-bromo-3-(but-3-yn-1-yloxy)phenyl]-1,3-dimethyl-1H-pyrazol-5-amine
null
null
null
InChI=1S/C21H19BrN4O3S/c22-17-5-1-2-7-19(17)30(28,29)26-11-15-16(12-26)20(15)25-21(27)24-18-6-3-4-13-10-23-9-8-14(13)18/h1-10,15-16,20H,11-12H2,(H2,24,25,27)/t15-,16+,20+
AGYYFULPVJILGL-IGOJGBNBSA-N
[H][C@@]12CN(C[C@]1([H])[C@H]2NC(=O)NC1=CC=CC2=C1C=CN=C2)[S](=O)(=O)C1=C(Br)C=CC=C1
C21H19BrN4O3S
[H]C12CN(CC1([H])C2NC(=O)NC1=CC=CC2=C1C=CN=C2)S(=O)(=O)C1=C(Br)C=CC=C1
null
3-[(1R,5S,6S)-3-(2-bromobenzenesulfonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(isoquinolin-5-yl)urea
null
null
null
InChI=1S/C48H29NOS/c1-2-10-30(11-3-1)31-20-24-34(25-21-31)49-41-16-6-4-12-39(41)47-35(14-8-17-42(47)49)32-22-26-37-38-27-23-33(29-46(38)51-45(37)28-32)36-15-9-19-44-48(36)40-13-5-7-18-43(40)50-44/h1-29H
AGZAWWABQFZMBE-UHFFFAOYSA-N
O1C2=CC=CC=C2C2=C(C=CC=C12)C1=CC=C2C(SC3=CC(=CC=C23)C2=C3C(=CC=C2)N(C2=CC=CC=C32)C2=CC=C(C=C2)C2=CC=CC=C2)=C1
C48H29NOS
null
null
9-{[1,1'-biphenyl]-4-yl}-4-(11-{8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-3-yl}-8-thiatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaen-5-yl)-9H-carbazole
null
null
null
InChI=1S/C19H18N2O3S2SeTe/c1-2-20-14-6-3-4-7-15(14)27-17(20)8-5-9-18-21(11-13-26(22,23)24)19-16(28-18)10-12-25-19/h3-10,12H,2,11,13H2,1H3
AGZGZBWCFORMEI-UHFFFAOYSA-N
CC[N+]1=C([Se]C2=CC=CC=C12)C=CC=C1[Te]C2=C(SC=C2)N1CC[S]([O-])(=O)=O
C19H18N2O3S2SeTe
CC[N+]1=C([Se]C2=CC=CC=C12)C=CC=C1[Te]C2=C(SC=C2)N1CCS([O-])(=O)=O
null
3-ethyl-2-{3-[3-(2-sulfonatoethyl)-2H,3H-thieno[2,3-d][1,3]tellurazol-2-ylidene]prop-1-en-1-yl}-1,3-benzoselenazol-3-ium
null
null
null
InChI=1S/C61H40N4S/c1-5-16-41(17-6-1)43-28-30-47(31-29-43)63(49-32-35-56-52(39-49)51-26-13-14-27-55(51)64(56)48-25-15-22-45(38-48)42-18-7-2-8-19-42)50-33-36-57-53(40-50)59-58(66-57)37-34-54-60(59)65(46-23-11-4-12-24-46)61(62-54)44-20-9-3-10-21-44/h1-40H
AGZGZKCSKPHHGF-UHFFFAOYSA-N
S1C2=CC=C(C=C2C2=C1C=CC1=C2N(C(=N1)C1=CC=CC=C1)C1=CC=CC=C1)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=C2N(C3=CC=CC=C3C2=C1)C1=CC(=CC=C1)C1=CC=CC=C1
C61H40N4S
null
null
N-(9-{[1,1'-biphenyl]-3-yl}-9H-carbazol-3-yl)-N-{[1,1'-biphenyl]-4-yl}-3,4-diphenyl-10-thia-3,5-diazatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁶]hexadeca-1(9),2(6),4,7,11,13,15-heptaen-14-amine
null
null
null
InChI=1S/C17H24F3N3O3/c1-5-11-6-7-12(14(8-11)25-3)9-23(26-4)16(24)13-10-22(2)21-15(13)17(18,19)20/h6-7,10-12,14H,5,8-9H2,1-4H3
AGZHOWRYUGYODB-UHFFFAOYSA-N
CCC1CC(OC)C(CN(OC)C(=O)C2=CN(C)N=C2C(F)(F)F)C=C1
C17H24F3N3O3
null
null
N-[(4-ethyl-6-methoxycyclohex-2-en-1-yl)methyl]-N-methoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
null
null
null
InChI=1S/C28H23Cl2N3O4/c1-16-4-6-20(7-5-16)33(3)28(35)23(15-31)27(34)17(2)36-21-8-10-22(11-9-21)37-25-13-18-12-19(29)14-24(30)26(18)32-25/h4-14,17,23,32H,1-3H3
AGZHYHIBICVAMV-UHFFFAOYSA-N
CC1=CC=C(C=C1)N(C)C(=O)C(C#N)C(=O)C(C)OC2=CC=C(C=C2)OC3=CC4=CC(=CC(=C4N3)Cl)Cl
C28H23Cl2N3O4
CC1=CC=C(C=C1)N(C)C(=O)C(C#N)C(=O)C(C)OC2=CC=C(C=C2)OC3=CC4=CC(=CC(=C4N3)Cl)Cl
2-cyano-4-[4-[(5,7-dichloro-1H-indol-2-yl)oxy]phenoxy]-N-methyl-N-(4-methylphenyl)-3-oxopentanamide
2-cyano-4-{4-[(5,7-dichloro-1H-indol-2-yl)oxy]phenoxy}-N-methyl-N-(4-methylphenyl)-3-oxopentanamide
null
{"ep":1,"us":1}
null