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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Acetamide, N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]-, compd. with 1,1'-sulfinylbis[methane] (1:1); GSK 1120212B; Trametinib dimethyl sulfoxide; GSK 1120212B CAS 1187431-43-1 PubChem CID 50992434
CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1.CS(C)=O -
5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid; 2-(bis(2-hydroxyethyl)amino)ethanol CAS 61136-17-2 PubChem CID 57358312
COc1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(OC)n4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)n1.OCCN(CCO)CCO -
(2S)-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS 192876-13-4 PubChem CID 71718651
C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C -
6-{cis-4-[1-(2-Dimethylamino-ethyl)-4-(4-fluoro-3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-3-fluoro-piperidin-1-yl}-5-isopropyl-pyrimidin-4-ylamine PubChem CID 86267570
CC(C)c1c(N)ncnc1N1CC[C@@H](c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN(C)C)[C@@H](F)C1 -
3-Butenoic acid, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-oxo-, (3E)- CAS 1611483-29-4 PubChem CID 86279004
CC(C)(C)c1cc(/C=C/C(=O)C(=O)O)cc(C(C)(C)C)c1O -
(2R,3S)-rel-3-Hydroxypyrrolidine-2-carboxylic acid compound with 2,2,2-trifluoroacetic acid (1:1) CAS 1788041-58-6 PubChem CID 91825861
O=C(O)C(F)(F)F.O=C(O)[C@@H]1NCC[C@@H]1O -
US8999957, Column 162-163, Compound 4 PubChem CID 91970672
O=C(N[C@@H]1CCCN(Cc2ccncc2)C1)C1CCC2NNC(c3ccc4c(c3)CCO4)C2C1 -
US11021467, Compound 16 PubChem CID 118573959
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1N(C)CCN -
Nc1noc2nc(Cl)c(F)cc12 -
(2S)-2-tert-butoxy-2-[5-[2-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-4-(4,4-dimethyl-1-piperidyl)-2,6-dimethyl-3-pyridyl]acetic acid PubChem CID 126573058
Cc1ccc(CN2CCc3cc(-c4c(C)nc(C)c([C@H](OC(C)(C)C)C(=O)O)c4N4CCC(C)(C)CC4)ccc3C2)cc1C -
1-(17.BETA.-(ACETYLOXY)-2-(MORPHOLIN-4-YL)-3-OXO-5.ALPHA.-ANDROST-1-EN-16.BETA.-YL)-1-(PROP-2-ENYL)PYRROLIDINIUM CAS 942983-85-9 PubChem CID 129896736
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5CC(=O)C(N6CCOCC6)=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1 -
(R or S)-3-benzyl-5-(9- ethyl-8-(2- methylpyrimidin-5-yl)-9H- purin-6-yl)-3- methylindolin-2-one PubChem CID 131964683
CCn1c(-c2cnc(C)nc2)nc2c(-c3ccc4c(c3)C(C)(Cc3ccccc3)C(=O)N4)ncnc21 -
5-(difluoromethyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide PubChem CID 134277789
C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(C(F)F)s4)nc4ccccc43)C2)C1 -
(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-(1-hydroxy-4-methylcyclohexyl)butan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol PubChem CID 134451697
CC1CCC(O)(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](O)(C(F)(F)F)CC[C@]5(C)[C@H]4CC[C@]23C)CC1 -
(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-(4-ethyl-1-hydroxycyclohexyl)butan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol PubChem CID 134451707
CCC1CCC(O)(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](O)(C(F)(F)F)CC[C@]5(C)[C@H]4CC[C@]23C)CC1 -
COCC1CCC(O)(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](O)(C(F)(F)F)CC[C@]5(C)[C@H]4CC[C@]23C)CC1 -
(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-(1-hydroxy-4-methoxycyclohexyl)butan-2-yl]-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol PubChem CID 134451792
COC1CCC(O)(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](O)(C(F)(F)F)CC[C@]5(C)[C@H]4CC[C@]23C)CC1 -
CC(C)C1CCC(O)(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](O)(C(F)(F)F)CC[C@]5(C)[C@H]4CC[C@]23C)CC1 -
(2R,3S)-rel-3-Hydroxypyrrolidine-2-carboxylic acid compound with 2,2,2-trifluoroacetic acid (1:1) CAS 1788041-58-6 PubChem CID 134818456
O=C(O)C(F)(F)F.O=C(O)C1NCCC1O -
cis-N-(8-amino-6-(5-isopropyl-1H- pyrazol-4-yl)isoquinolin-3-yl)-2- fluorocyclopropane-1-carboxamide PubChem CID 135342544
CC(C)c1[nH]ncc1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1