Compound Search
化合物数据库
基于 PubChem CID 索引,支持名称 / 同义词 / CAS / SMILES 检索。
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N#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(Oc5ccc(NC(=O)CCOCCOCCOCCOCCNC(=O)CCC[C@@H]6SC[C@@H]7NC(=O)N[C@@H]76)cc5)CC4)nc3)CC2)cc1 -
(2R,3S)-5,7-dihydroxy-2-(3,4,5- trihydroxyphenyl)chroman-3-yl 4- hydroxybenzoate PubChem CID 87780966
O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1ccc(O)cc1 -
(2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-6-oxo-1-pyrimidin-2-ylpiperidine-2-carboxamide PubChem CID 89699424
O=C(NC1CC(F)(F)C1)[C@H](c1ccccc1Cl)N(C(=O)[C@@H]1CCCC(=O)N1c1ncccn1)c1cccc(F)c1 -
5-(2-Methoxy-1H-benzimidazol-1-yl)-N-(phenylmethyl)thiazolo[5,4-d]pyrimidin-7-amine CAS 1542704-23-3 PubChem CID 89928222
COc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2ncsc2n1 -
4-amino-N-(1-(2-fluorobenzyl)-6-methylisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide CAS 1527518-20-2 PubChem CID 90020321
COc1ccc(CNc2ncnc3c(Br)csc23)c(OC)c1 -
1-{[(3S)-3-{[9-ethyl-8-(2- methylpyrimidin-5-yl)-9H- purin-6-yl]oxy}pyrrolidin-1- yl]carbonyl}-3- methylpyrrolidin-3-ol PubChem CID 90166561
CCn1c(-c2cnc(C)nc2)nc2c(O[C@H]3CCN(C(=O)N4CCC(C)(O)C4)C3)ncnc21 -
9-ethyl-6-{[(3S)-1-(4- fluorophenyl)pyrrolidin-3- yl]oxy}-8-(2-methylpyrimidin- 5-yl)-9H-purine PubChem CID 90166631
CCn1c(-c2cnc(C)nc2)nc2c(O[C@H]3CCN(c4ccc(F)cc4)C3)ncnc21 -
8-(1-ethyl-5-methyl-1H-pyrazol- 4-yl)-9-methyl-6-{[(3S)-1- (naphthalen-1- ylcarbonyl)pyrrolidin-3-yl]oxy}- 9H-purine PubChem CID 90166650
CCn1ncc(-c2nc3c(O[C@H]4CCN(C(=O)c5cccc6ccccc56)C4)ncnc3n2C)c1C -
9-methyl-8-(2-methylpyrimidin- 5-yl)-6-{[(3S)-1- propanoylpyrrolidin-3-yl]oxy}- 9H-purine PubChem CID 90166679
CCC(=O)N1CC[C@H](Oc2ncnc3c2nc(-c2cnc(C)nc2)n3C)C1 -
2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide PubChem CID 90199476
Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN(CC(F)(F)F)CC1 -
N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(3-methoxyphenoxyl)acetamide PubChem CID 90241793
COc1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1 -
2-amino-N-(4-methylpyridin-3-yl)-7-(oxetan-3-yl)-5,6,7,8-tetrahydro pyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-3-carboxamide PubChem CID 90409967
Cc1ccncc1NC(=O)c1c(N)nn2cc3c(nc12)CCN(C1COC1)C3 -
3-ethoxycarbonyl-2-methyl-4-(2-nitrophenyl)-4,11-dihydro-1H-pyrido(2,3-b)(1,5)benzodiazepine PubChem CID 90451879
CCOC(=O)C1=C(C)NC2=C(C=Nc3ccccc3N2)C1c1ccccc1[N+](=O)[O-] -
5-chloro-2-(4-fluoro-2- PubChem CID 90468043
Cc1cc(F)ccc1Oc1ccc(Cl)cc1C(=O)Nc1cccc(S(N)(=O)=O)c1 -
(2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-N,N-dimethyl-3-{[(3S)-2-oxo-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]azepan-3-yl]amino}prop-2-enamide PubChem CID 91096682
CN(C)C(=O)C(C#N)C(=N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)Nc1cccc2c(Cl)c[nH]c12 -
(1R,3aS,3bR,7S,9aR,9bS,11aS)-7-(acetyloxy)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl (2Z)-3-(acetyloxy)but-2-enoate CAS 142154-46-9 PubChem CID 91758694
C#C[C@]1(OC(=O)/C=C(/C)OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C -
C[C@@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO -
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C -
(2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid PubChem CID 117072556
CCCCCCNC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)O)cc2F)c1 -
N-(2-chloro-5-(7-oxo-7,8,9,10-tetrahydrocyclopenta[4,5]pyrrolo[2,3-f]isoquinolin-2-yl)phenyl)acrylamide PubChem CID 117611101
C=CC(=O)Nc1cc(-c2cc3c(ccc4c5c([nH]c43)CCC5=O)cn2)ccc1Cl