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#Cc1cncnc1N[C@@H]1C[C@@H]2COP(=O)(S)O[C@@H]3[C@H](O)[C@@H](COP(O)(=S)O[C@H]2C1)O[C@H]3N1C=NC2C(=O)NC(N)NC21 -
O=C1NC[C@@H](C(=O)N[C@H](c2ccc(F)c(Cl)c2)c2cc(C(F)(F)F)n[nH]2)N1 -
4H,6H,8H-Pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,13(1H)-dione, 9-(3-furanyl)-2a,3,6b,7,8a,9,11,12b,14,14a-decahydro-1,1,8a,12b-tetramethyl-, (2aS,6aR,6bR,8aS,9R,12bR,14aR)- CAS 85643-96-5 PubChem CID 158848
CC1(C)OC2CC(=O)OCC23C1CC(=O)C1(C)C2=CCOC(c4ccoc4)C2(C)CCC13 -
pyrido[2',3':4,5]pyrimido[1,2-alpha]indole-5,11-dione PubChem CID 478670
O=C1c2ccccc2-n2c1nc1ncccc1c2=O -
(4bS)-4b,8,8-trimethyl-2-propan-2-yl-1,4,5,6,7,8a,9,10-octahydrophenanthrene PubChem CID 6431125
CC(C)C1=CCC2=C(CCC3C(C)(C)CCC[C@]23C)C1 -
2-{[bis(4-chlorophenyl)methyl]sulfanyl}ethan-1-amine PubChem CID 11723014
NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 -
1-[(R)-1-(Hydroxymethyl)-3-[6-(hexanoylamino)-1H-indole-1-yl]propyl]-1H-imidazole-4-carboxamide PubChem CID 11774256
CCCCCC(=O)Nc1ccc2ccn(CC[C@H](CO)n3cnc(C(N)=O)c3)c2c1 -
4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol CAS 112652-46-7 PubChem CID 13870570
COc1cc(C2OC(c3ccc(O)c(OC)c3)C(C)C2C)ccc1O -
(3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrrolidine-3-thiol PubChem CID 16739287
CC#CCOc1ccc(S(=O)(=O)N2CC[C@@H](S)C2)cc1 -
(4aR,4bS,6aS,7S,9aS,9bS,9cS,10aS,10bR)-7-((R)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-7,10b-dihydroxy-4a,6a-dimethyl-4b,5,6,6a,7,8,9,9a,9b,9c,10a,10b-dodecahydro-1H-cyclopenta[1,2]phenanthro[9,10-b]oxiren-4(4aH)-one CAS 27570-38-3 PubChem CID 21679027
CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 -
ethyl 2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)-2-phenylacetate PubChem CID 24971273
CCOC(=O)C(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)c1ccccc1 -
NC(=O)c1cccc2[nH]c([C@@H]3CCCN3)nc12 -
2-chloro-N-(1-methyl-1H-imidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine CAS 1001352-56-2 PubChem CID 57680810
Cn1cnc(Nc2nc(Cl)nn3cccc23)c1 -
Leucomycin V, 9-O-((2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 4b-(3-methylbutanoate) CAS 267662-22-6 PubChem CID 101485376
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O -
Leucomycin V, 9-O-((2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 3-acetate 4b-(3-methylbutanoate) CAS 848080-53-5 PubChem CID 101485377
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O -
US10865384, Compound IM-18 PubChem CID 118303617
Cc1cccc(-c2nc(-c3c(F)cccc3F)[nH]c2C2=CCOCC2)c1 -
US10202373, Compound I-2 PubChem CID 122692485
COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccccc2)ccn1 -
Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(O)(=S)O[C@H]4[C@@H](F)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4CNS(=O)(=O)O[C@@H]2C3)c(=O)[nH]1 -
CC(=O)C1C2=CCC3[C@@]4(C)CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C(C)(C)C4CC[C@@]3(C)[C@]2(C)CC[C@]1(CCC(C)O)C(=O)O -
3-(1-(2,4-dichlorobenzyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carboxylic acid PubChem CID 163399268
O=C(O)c1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(Cl)cc4Cl)CC3)c2c1