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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CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F -
(3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenylsulfanyl-butyl]-decahydro-isoquinoline CAS 159989-64-7 PubChem CID 64143
Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C -
.; (+)-BCH 189; 2',3'-Dideoxy-3'-thiacytidine; 2'-Deoxy-3'-thiacytidine; 3TC; BCH 189, (+)-; NSC 620753 CAS 134680-32-3 PubChem CID 73339
Nc1ccn([C@H]2CS[C@@H](CO)O2)c(=O)n1 -
Formic acid, compound with 3-((4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)-N- CAS 68957-35-7 PubChem CID 111888
CN(C)CCCNC(=O)CCS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1.O=CO -
B (EP); Hexanoic acid, 3-(aminomethyl)-5-methyl-, (3R)-; Hexanoic acid, 3-(aminomethyl)-5-methyl-, (R CAS 148553-51-9 PubChem CID 125889
CC(C)C[C@@H](CN)CC(=O)O -
4-butyl-5-hydroxy-1,2-diphenyl-1,2-dihydro-3H-pyrazol-3-one compound with 3-((1-benzyl-1H-indazol-3-yl CAS 37598-92-8 PubChem CID 193263
CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O.CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12 -
Perchloric acid compound with ethyl 3-(diethylamino)-3-((5-methyl-3-isoxazolyl)imino)propanoate (1:1) PubChem CID 438441
CCOC(=O)CC(=Nc1cc(C)on1)N(CC)CC -
(3S,4aS,8aS)-2-[(2R,3S)-2-Hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl-butyl]-decahydro-isoquinoline PubChem CID 473369
Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C -
alpha-Hydrazinyl-4-hydroxy-3-methoxy-alpha-methyl-benzenepropanoic acid; Benzenepropanoic acid, alpha-hydrazino CAS 85933-19-3 PubChem CID 3019911
COc1cc(CC(C)(NN)C(=O)O)ccc1O -
N-[2-Amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide; Compound 109168; EL 468 CAS 61444-62-0 PubChem CID 5464091
Nc1c(NC(=O)C(F)(F)C(F)F)cc(C(F)(F)F)cc1[N+](=O)[O-] -
(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]propanoic Acid; Quinapril Hydrochloride Imp. CAS 82717-96-2 PubChem CID 5702571
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)O -
(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoic acid; 5 CAS 41639-83-2 PubChem CID 6441636
O=C(O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O -
3-Phenyl-2-Propen-1-amine Hydrochloride (1:1); 2-Propen-1-amine, 3-phenyl-, hydrochloride (9CI); Cinnamylamine CAS 5586-89-0 PubChem CID 6444486
Cl.NC/C=C/c1ccccc1 -
1-(3-Diethylamino-propyl)-3-methoxy-3-phenyl-1,3-dihydro-indol-2-one; compound with (E)-but-2-enedioic CAS 42773-68-2 PubChem CID 6445845
CCN(CC)CCCN1C(=O)C(OC)(c2ccccc2)c2ccccc21.O=C(O)/C=C/C(=O)O -
Phosphoric acid 2-chloro-phenyl ester 12-(2-{1-[3-(3-methyl-indol-1-yl)-propyl]-1H-indol-3-yl}-acetylamino PubChem CID 9918266
Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCCOP(=O)(O)Oc3ccccc3Cl)c3ccccc32)c2ccccc12 -
5-Isobenzofurancarbonitrile, 1-[3-(dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-; 5-Isobenzofurancarbonitrile CAS 63284-72-0 PubChem CID 10068142
C[N+](C)([O-])CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 -
3-{[3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carbonyl]-amino}-benzoic acid; compound with PubChem CID 10576889
Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2cccc(C(=O)O)c2)c1Br -
Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-methyl-, (3S,4R)-; Piperidine, 3 CAS 110429-36-2 PubChem CID 10947895
CN1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 -
1-[[3-(2-Aminoethyl)-5-indolyl]methanesulfonyl]pyrrolidine; 1-[[[3-(2-Aminoethyl)-1H-indol-5-yl]methyl CAS 181178-24-5 PubChem CID 11197569
NCCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12 -
(S)-3-{[2-(4-Carbamimidoyl-benzyloxy)-4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-7-carbonyl]-amino PubChem CID 11284767
CCOC(=O)C[C@H](NC(=O)c1ccc2c(c1)OC(OCc1ccc(C(=N)N)cc1)C(=O)N2C)c1ccccc1