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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Cc1nc(N2C[C@H]3C[C@H]3C2=O)ncc1C(C)n1cc(NC(=O)c2nc(-c3c(C(F)F)ccc(Cl)c3F)cc(=O)n2C)cn1 -
2-((1r,4r)-4-((4-(2-(4-(2,4-Dioxotetrahydropyrimidin-1(2H)-yl)-1H-indol-1-yl)ethyl)piperazin-1-yl)methyl)cyclohexyl)-N-(imidazo[1,2-b]pyridazin-3-yl)-6-methoxy-2H-indazole-5-carboxamide PubChem CID 172354372
COc1cc2nn(C3CCC(CN4CCC(CCN5CCC(n6ccc7c(N8CCC(=O)NC8=O)cccc76)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12 -
COc1cc2nn(C3CCC(NCCN4CCC(CN5CCN(c6ccc7c(c6)CN(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12 -
preparation of N-methyl-5-(4-((4-methyl-2-oxo-3-(trifluoromethyl)-1,2-dihydro-1,6-naphthyridin-7-yl)methyl)piperazin-1-yl)picolinamide PubChem CID 175681731
CNC(=O)c1ccc(N2CCN(Cc3cc4c(cn3)C(C)=C(C(F)(F)F)C(=O)C4)CC2)cn1 -
1-(4-((6-((3R,4R)-4-(3,4-dihydroisoquinoline-2(1H)-yl)-3-hydroxypiperidine-1-carbonyl)-2-methylpyrimidine-4-yl)amino)piperidine-1-yl)ethanone PubChem CID 177373432
CC(=O)N1CCC(Cc2cc(C(=O)N3CC[C@@H](N4CCc5ccccc5C4)[C@H](O)C3)nc(C)n2)CC1 -
CIS-3-(1-Benzoyl-piperidin-4-yl)-8-dimethylamino-8-phenyl-1,3- diazaspiro[4.5]decan-2-one PubChem CID 130202944
CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(O)CCS(=O)(=O)CC1)C(=O)N2CC1CC1 -
(4R)-8-(1,3-dimethyl-1H-pyrazol-5-yl)-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile PubChem CID 152324986
Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1 -
CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC -
1-Cyclopropyl-1-{8-[(S)-(2-fluorophenyl)(oxan-4-yl)methyl]-5-[4-(2H3)methyl-1-methyl-1H-1,2,3-triazol-5-yl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl}ethan-1-ol PubChem CID 122694891
Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(O)C4CC4)nc3n([C@H](c3ccccc3F)C3CCOCC3)c2c1 -
[(1S)-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)-1-(3,4-dimethoxyphenyl)ethyl]5-[[[1-cyclohexyl-2-[(1-methyl-4-piperidyl)methoxy]-2-oxo-ethyl]amino]methyl]-thiophene-2-carboxylate PubChem CID 124097477
COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(C(=O)OCC3CCN(C)CC3)C3CCCCC3)s2)cc1OC -
CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn(Cc3ccn(C)n3)nc2c1-c1ccccc1 -
4,4,4-trifluoro-1-[3-[2-[[1- [1-methyl-2-(4- methylpiperazin-1-yl)-2- oxo-ethyl]pyrazol-4- yl]amino]- [1,2,4]triazolo[1,5-a] pyridin-8-yl]-3,8- diazabicyclo[3.2.1]octan- 8-yl]butan-1-one PubChem CID 129269442
CC(C(=O)N1CCN(C)CC1)n1cc(Nc2nc3c(N4CC5CCC(C4)N5C(=O)CCC(F)(F)F)cccn3n2)cn1 -
4,4,4-trifluoro-1-[3-[2-[[1- [1-methyl-2-(4- methylpiperazin-1-yl)-2- oxo-ethyl]pyrazol-4- yl]amino]- [1,2,4]triazolo[1,5-a] pyridin-8-yl]-3,9- diazabicyclo[3.3.1]nonan- 9-yl]butan-1-one PubChem CID 129269443
CC(C(=O)N1CCN(C)CC1)n1cc(Nc2nc3c(N4CC5CCCC(C4)N5C(=O)CCC(F)(F)F)cccn3n2)cn1 -
methyl 2-{[4-(trifluoromethoxy)phenyl]amino}-1-[(cis)-3,3,5-trimethylcyclohexyl]-1H-benzimidazole-6-carboxylate, enantiomer A PubChem CID 130363770
COC(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2c1 -
1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylpiperazin-1- yl)propyl]phenyl]ethyl] amino]-4H-pyrimido[4,5- d][1,3]oxazin-2-one, isomer 1 PubChem CID 135126319
C=CC(=O)N1CCN(C(CC)c2ccc([C@H](C)Nc3ncc4c(n3)N(CC)C(=O)OC4)cc2)CC1 -
1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoylpiperazin-1-yl)propyl]phenyl]ethyl]amino]-4H-pyrimido[4,5-d][1,3]oxazin-2-one, diastereomer 1 PubChem CID 135126455
C=CC(=O)N1CCN(C(CCOC)c2ccc([C@H](C)Nc3ncc4c(n3)N(CC)C(=O)OC4)cc2)CC1 -
7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpiperazin-1- yl)ethyl]phenyl]ethyl]amino]- 1-methyl-4H-pyrido[4,3- d][1,3]oxazin-2-one, isomer 1 PubChem CID 135142677
C=CC(=O)N1CCN(C(CC2CC2)c2ccc([C@H](C)Nc3cc4c(cn3)COC(=O)N4C)cc2)CC1 -
6-{[(1R)-1-(4-chlorophenyl)-7-fluoro- 5-[1-hydroxy-1-(1-methyl-1H-pyrazol- 4-yl)ethyl]-3-oxo-1-[(3S)-oxolan-3- yloxy]-2,3-dihydro-1H-isoindol-2- yl]methyl}pyridine-3-carbonitrile PubChem CID 135282568
Cn1cc(C(C)(O)c2cc(F)c3c(c2)C(=O)N(Cc2ccc(C#N)cn2)[C@@]3(O[C@H]2CCOC2)c2ccc(Cl)cc2)cn1 -
6-{[(1R)-1-(4-chlorophenyl)-7-fluoro- 5-[1-hydroxy-1-(1-methyl-1H- imidazol-4-yl)propyl]-3-oxo-1-[(3S)- oxolan-3-yloxy]-2,3-dihydro-1H- isoindol-2-yl]methyl}pyridine-3- carbonitrile PubChem CID 137498006
CCC(O)(c1cc(F)c2c(c1)C(=O)N(Cc1ccc(C#N)cn1)[C@@]2(O[C@H]1CCOC1)c1ccc(Cl)cc1)c1cn(C)cn1 -
2-{[(1R)-1-(4-chlorophenyl)-7-fluoro- 5-[1-hydroxy-1-(1-methyl-1H- imidazol-4-yl)propyl]-1-[(trans-3- hydroxycyclopentyl)oxy]-3-oxo-2,3- dihydro-1H-isoindol-2- yl]methyl}pyrimidine-5-carbonitrile PubChem CID 137512742
CCC(O)(c1cc(F)c2c(c1)C(=O)N(Cc1ncc(C#N)cn1)[C@@]2(OC1CCC(O)C1)c1ccc(Cl)cc1)c1cn(C)cn1