Compound Search
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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-(4-(2-chloro-5-((1S,2S,3S,4R,5S)-2,3,4-trihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-5- PubChem CID 86729348
CCON=C(C)c1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1 -
2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanyl-1-phenyl-ethanone PubChem CID 3332732
COc1ccc(CCn2c(CO)cnc2SCC(=O)c2ccccc2)cc1 -
1-[4-[3-[[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]anilino]-hydroxymethyl]-5-(trifluoromethyl)phenyl PubChem CID 131996080
CC(=O)N1CCN(c2cc(C(O)Nc3cccc([C@H](C)Nc4cncc(Cl)n4)c3)cc(C(F)(F)F)c2)CC1 -
1-[4-[3-[[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]anilino]-hydroxymethyl]-5-(trifluoromethyl)phenyl PubChem CID 131996086
CC(=O)N1CCC(c2cc(C(O)Nc3cccc([C@H](C)Nc4cncc(Cl)n4)c3)cc(C(F)(F)F)c2)CC1 -
1-[5-ethyl-2-hydroxy-4-[[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl] PubChem CID 2303153
CCc1cc(C(=O)Cc2cscn2)c(O)cc1OC[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O -
1-[5-ethyl-2-hydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]phenyl]-2-(1,3-thiazol-4 PubChem CID 3359551
CCc1cc(C(=O)Cc2cscn2)c(O)cc1OCC1OC(CO)C(O)C(O)C1O -
1-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)benzyl) PubChem CID 86729338
CCON=C(C)c1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 -
1-(5-ethyl-2-(hydroxymethyl)phenyl)ethanone PubChem CID 177835426
CCc1ccc(CO)c(C(C)=O)c1 -
N-[1-[(E)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]-2-(3,4-dimethoxyphenyl)acetamide. CAS 861393-28-4 PubChem CID 11351968
COc1ccc(CC(=O)NC(/N=C(\NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC -
Salbuterol Related Compound B;2-[(1,1-Dimethylethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone CAS 156547-62-5 PubChem CID 11601134
CC(C)(C)NCC(=O)c1ccc(O)c(CO)c1 -
1-[2-(2-{5'-[2-(2-acetyl-6-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethyl]-2',6-dihydroxy-3',5-dimethoxy-[1,1'-biphenyl]-3-yl}ethyl)-3-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]ethan-1-one CAS 1141495-10-4 PubChem CID 42638806
COc1cc(CCc2c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(C)=O)cc(-c2cc(CCc3c(O)ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3C(C)=O)cc(OC)c2O)c1O -
2-{[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one CAS 933210-94-7 PubChem CID 18589603
Cc1ccc(Cn2c(CO)cnc2SCC(=O)N2CCN(c3ccccc3)CC2)cc1 -
CCc1ccc(CO)cc1C(C)=O -
CC(=O)c1ccc(CCCl)cc1 -
1-{2-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl}ethan-1-one CAS 1141494-98-5 PubChem CID 42638805
COc1ccc(CCc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc(O)c2C(C)=O)cc1OC -
(2R)-2-(hydroxymethyl)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid CAS 833483-45-7 PubChem CID 11217265
CC(=O)N1CCC(N)C1 -
CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@H](Cc1ccc(NC(N)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O