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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3-({[3-methoxy-4-(1H-1,2,3,4- PubChem CID 75260387
COc1cc(NCC2CC3CC(C)C(C)CC3NC2=O)ccc1-n1cnnn1 -
NCGC00384881-02_C42H64O18_(3beta,5beta,9xi)-3-{[beta-D-Glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-enolide PubChem CID 75411973
COC1CC(O[C@H]2CC[C@]3(C=O)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)OC(C)C1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O -
(S)-4-((2-(azetidin-1-yl)-1-(4-chloro-3-(trifluoromethyl)phenyl)ethyl)amino)pyrido[4,3-d]pyrimidine-8-carboxamide PubChem CID 76072993
NC(=O)c1cncc2c(N[C@H](CN3CCC3)c3ccc(Cl)c(C(F)(F)F)c3)ncnc12 -
5-(N-(4-Cyclohexylbenzyl)-2-(N,4-dimethylphenylsulfonamido)acetamido)-2-hydroxybenzoic acid PubChem CID 76336555
Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(O)c(C(=O)O)c2)cc1 -
5-Oxo-DL-proline, compound with (carboxylatomethyl)trimethylammonium (1:1) CAS 85136-20-5 PubChem CID 76418990
C[N+](C)(C)CC(=O)[O-].O=C1CCC(C(=O)O)N1 -
1-(3-((cyclopentylamino)methyl)phenoxy)-3-(isoindolin-2-yl)propan-2-ol PubChem CID 76902416
OC(COc1cccc(CNC2CCCC2)c1)CN1Cc2ccccc2C1 -
Atorvastatin USP Related Compound C; Fluoro Atorvastatin; Atorvastatin Difluoro Analog; (3R,5R)-7-[3-(Phenylcarbamoyl)-4,5-bis(4-fluorophenyl)-2-isopropyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid CAS 693794-20-6 PubChem CID 77737753
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O -
N-[2-[[2-[[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylphenyl]prop-2-enamide PubChem CID 78324081
C=CC(=O)Nc1cc(C)ccc1Nc1nc(N[C@H]2CCCN(C(=O)CO)C2)ncc1C(F)(F)F -
5-(3,5-bis(trifluoromethyl)benzyl) 2-ethyl 7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-2,5(6H)-dicarboxylate PubChem CID 78425825
CCOC(=O)c1cc2n(n1)CCCN(C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 -
1-methyl-6-(3''-(piperidin-1-ylmethyl)-[1,1''-biphenyl]-4-yl)-1H- benzo[d][1,2,3]triazole-4-carboxylic acid; PubChem CID 85468972
Cn1nnc2c(C(=O)O)cc(-c3ccc(-c4cccc(CN5CCCCC5)c4)cc3)cc21 -
3-((23-pentaoxolan-2-yl)oxy)-33-hexaoxane compound with hydrogen peroxide (1:1) CAS 188844-20-4 PubChem CID 85723313
C1CCC(CC2CCNCC2)C1.Cl -
3-(6-methyl-1H-indol-3- yl)pyrrolidine-2,5-dione PubChem CID 86240731
Cc1ccc2c(C3CC(=O)NC3=O)c[nH]c2c1 -
4-Amino-6-{(3S,4R)-4-[1-(2-dimethylamino-ethyl)-4-(4-fluoro-3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-3-fluoro-piperidin-1-yl}-pyrimidine-5-carboxylic acid amide PubChem CID 86267778
CN(C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1[C@H]1CCN(c2ncnc(N)c2C(N)=O)C[C@H]1F -
5-[3-(4-Fluorophenyl)-3H- imidazo[4,5-c]pyridin-2-yl]-N- (oxan-4-yl)pyrimidin-2-amine PubChem CID 86268998
Fc1ccc(-n2c(-c3cnc(NC4CCOCC4)nc3)nc3ccncc32)cc1 -
6-(4-(4-cyano-2-(6- methoxypyridin-3- yl)phenoxy)phenyl)picolinamide PubChem CID 86275239
COc1ccc(-c2cc(C#N)ccc2Oc2ccc(-c3cccc(C(N)=O)n3)cc2)cn1 -
(3- cyanophenyl) methyl N-[3-[3- (2- oxopropanoylamino) phenyl]-1H- pyrrolo[2,3- b]pyridin-5- yl]carbamate PubChem CID 86300350
CC(=O)C(=O)Nc1cccc(-c2c[nH]c3ncc(NC(=O)OCc4cccc(C#N)c4)cc23)c1 -
4-((4-Chloro-3-fluorophenyl)fluoromethylene)-1-((3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine PubChem CID 86580866
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=C(F)c2ccc(Cl)c(F)c2)CC1 -
6-Chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(2H-tetrazol-5-yl)quinolin-2-amine PubChem CID 86683065
CCN(CC)c1nc2cc(F)c(Cl)cc2c(-c2ccccc2)c1-c1nn[nH]n1 -
N-((3-(3-isopropoxy-5-(3-(2,2,2-trifluoroethyl)ureido)phenyl)imidazo[1,2-a]pyridin-8-yl)methyl)propiolamide PubChem CID 86713610
C#CC(=O)NCc1cccn2c(-c3cc(NC(=O)NCC(F)(F)F)cc(OC(C)C)c3)cnc12 -
(E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut-2-enamido)phenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl)-N-(4-methylthiazol-2-yl)benzamide PubChem CID 86764189
Cc1csc(NC(=O)c2ccc(-n3c(=O)n(-c4cccc(N(C)C(=O)/C=C/CN(C)C)c4)c4ncnc(N)c43)cc2)n1