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基于 PubChem CID 索引,支持名称 / 同义词 / CAS / SMILES 检索。
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1-(6-(4-(5-Chloro-6-methyl-1H-indazol-4-yl)-3-(2,2-dimethyl-4-(1-methyl-1H-pyrazol-4-yl)piperazin-1-yl)-5-methyl-1H-pyrazol-1-yl)-2-azaspiro[3.3]heptan-2-yl)prop-2-en-1-one PubChem CID 166543575
C=CC(=O)N1CC2(CC(n3nc(N4CCN(c5cnn(C)c5)CC4(C)C)c(-c4c(Cl)c(C)cc5[nH]ncc45)c3C)C2)C1 -
9-benzyl-8-(2- chloro-4-((1- methylazepan-4- yl)oxy)phenyl)- 6-(1- methylcyclo- propoxy)-9H- purine (Isomer 1) PubChem CID 171791378
CN1CCCC(Oc2ccc(-c3nc4c(OC5(C)CC5)ncnc4n3Cc3ccccc3)c(Cl)c2)CC1 -
1-benzyl-2-(2- chloro-4-((1- methylazepan-4- yl)oxy)phenyl)- 5-isopropoxy- 1H- benzo[d]imidazole (Isomer 1) PubChem CID 171791847
CC(C)Oc1ccc2c(c1)nc(-c1ccc(OC3CCCN(C)CC3)cc1Cl)n2Cc1ccccc1 -
(3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-N-[3-(pyridin-2-yl)phenyl]pyrrolidin-3-amine PubChem CID 90406330
Cn1cnc(S(=O)(=O)N2C[C@H](Nc3cccc(-c4ccccn4)c3)[C@@H](c3ccccc3)C2)c1 -
1-[1-(cyanomethyl)-4-[(3- fluorophenyl)methylamino] cyclohexyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide PubChem CID 132100630
N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2ccc(C#N)cc2)CC1 -
1-[1-(cyanomethyl)-4-[(4- fluorophenyl)methylamino] cyclohexyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide PubChem CID 132100631
N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(NCc2cccc(C#N)c2)CC1 -
N-(1-(Trans-3-cyanocyclobutyl)-3-(6-((R)-3-methoxytetrahydrofuran-3-yl)-4-methylpyridin-2-yl)-1H-pyrrolo[2,3-c]pyridin-5-yl)acetamide CAS 2368945-71-3 PubChem CID 139464514
CO[C@@]1(c2cc(C)cc(-c3cn(C4CC(C#N)C4)c4cnc(NC(C)=O)cc34)n2)CCOC1 -
(1s,3s)-3-(3-amino-4-(6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl)-1H-pyrazol-1-yl)-3-(cyanomethyl)cyclobutyl-1-carbonitrile PubChem CID 155195687
Cn1cc(-c2cn3nccc3c(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)n2)cn1 -
N-((3S,4R)-1-Acryloyl-4-fluoropyrrolidin-3-yl)-5-(*S)-(2-methyl-4- phenoxyphenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; PubChem CID 155921619
Cc1cc(Oc2ccccc2)ccc1N1C(=O)NC2=C(C(=O)N[C@H]3CCCN(C(=O)CC#N)C3)SC3NCCC1C23 -
3-(3-(((R)-4-ethyl-1,1-dioxido-3,4-dihydro-2H-pyrido[2,3-b][1,4,5]oxathiazepin-2-yl)methyl)-4-methylphenyl)-3-(1-ethyl-4-methyl-1H-benzo[d][1,2,3]triazol-5-yl)propanoic acid PubChem CID 118169924
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4CC)c3C)ccc2C)S(=O)(=O)c2cccnc2O1 -
2-{5-[(5-Methyl-1,2-oxazol-3-yl)(oxan-4-yl)methyl]-3-[4-(2H3)methyl-1-methyl-1H-1,2,3-triazol-5-yl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol PubChem CID 118196364
Cc1cc(C(C2CCOCC2)n2c3cc(C(C)(C)O)ccc3c3ncc(-c4c(C)nnn4C)cc32)no1 -
Cc1c2c(nn1C)C(CCN1CCOCC1)N(C)S(=O)(=O)CCCn1c(C(=O)O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c31 -
N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-yl]-N''''-hydroxy-4-{[2-hydroxy-4- (S-methylsulfonimidoyl)butyl]amino}- 1,2,5-oxadiazole-3-carboximidamide (isomer 1) PubChem CID 146474061
CS(=N)(=O)CCC(O)CNc1nonc1C(=N[C@@H]1Cc2ccc(F)cc21)NO -
(R)-5-(*S)-(2-Methyl-6-phenoxypyridin-3-yl)-4-oxo-N-(pyrrolidin-3- yl)-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide; PubChem CID 155921479
Cc1nc(Oc2ccccc2)ccc1N1C(=O)NC2=C(C(=O)N[C@@H]3CCNC3)SC3NCCC1C23 -
(R)-5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2H-tetrazol-5-yl)propyl)-4-hydroxy-4-methylchromane-8-sulfonamide PubChem CID 171918904
Cc1ccc(F)c([C@@H](C)[C@H](NS(=O)(=O)c2ccc(Cl)c3c2OCC[C@@]3(C)O)C2NNNN2)c1C -
(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl benzoate CAS 28956-89-0 PubChem CID 119845
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(OC(=O)c1ccccc1)C(=O)CO -
N#Cc1cncc2c1OCCN(C(=O)[C@]1(F)CCN(c3ncccn3)CC1(F)F)C2 -
2-((3R*,4R*)-4-(((6- (cyclopropyl(((1r,4R)-4- (trifluoromethyl)cyclohexyl)methyl) amino)-5-fluoropyrimidin-4- yl)amino)methyl)-3-hydroxypiperidin- 1-yl)acetamide 1st eluting isomer PubChem CID 164713050
NC(=O)CN1CC[C@@H](CNc2ncnc(N(CC3CCC(C(F)(F)F)CC3)C3CC3)c2F)[C@H](O)C1 -
(+)-N-{4-[3-(2-chloro-3-fluoroanilino)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}-4,4-difluoro-2-(4-fluorophenyl)butanamide (Enantiomer 2) PubChem CID 154674308
CC1(C)Cc2[nH]c(-c3ccnc(NC(=O)C(CC(F)F)c4ccc(F)cc4)c3)c(Nc3cccc(F)c3Cl)c2C(=O)N1 -
N-{4-[6,6-dimethyl-3-(2-methylanilino)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}-4,4-difluoro-2-(4-fluorophenyl)butanamide (Enantiomer 1) PubChem CID 154674340
Cc1ccccc1Nc1c(-c2ccnc(NC(=O)C(CC(F)F)c3ccc(F)cc3)c2)[nH]c2c1C(=O)NC(C)(C)C2