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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(R)-4-(3-(methylsulfonyl)phenyl)-2-phenyl-1-((S)-1-(4-(trifluoromethyl)phenyl)ethyl)piperazine PubChem CID 137554552
CC(c1ccc(C(F)(F)F)cc1)N1CCN(c2cccc(S(C)(=O)=O)c2)C[C@H]1c1ccccc1 -
(S)-1-(((1r,4S)-4-(difluoromethyl)cyclohexyl)methyl)-4-(3-(methylsulfonyl)phenyl)-2-phenylpiperazine PubChem CID 137554605
CS(=O)(=O)c1cccc(N2CCN(C(=O)C3CCC(C(F)F)CC3)[C@@H](c3ccccc3)C2)c1 -
4-benzyl-N-(1-methyl-2-oxo-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)-1H-pyrazole-1-carboxamide PubChem CID 156135576
CN1C(=O)C(NC(=O)n2cc(Cc3ccccc3)cn2)CCc2ccc(N3CC4(CCOCC4)C3)cc21 -
(S)-N-((4-(1,2-Dihydroxyethyl)-1-(4- (trifluoromethoxy)phenyl)-1H- pyrazolo[3,4-b]pyridin-3- yl)methyl)acrylamide-2,3,3-d3 PubChem CID 168824834
C=CC(=O)NCc1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc([C@H](O)CO)c12 -
(3R)-3-(4-Chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-6-(1,2-dihydroxypropan-2-yl)-4-fluoro-3- ({1-[hydroxy(2H2)methyl]cyclopropyl}(2H2)methoxy)-2,3-dihydro-1H-isoindol-1-one PubChem CID 172636753
CC1CC1(O)[C@@]1(c2ccc(Cl)cc2)c2c(F)cc(C(C)(O)CO)cc2C(=O)N1Cc1ccc(Cl)cn1 -
4,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaen-3-ol CAS 36284-37-4 PubChem CID 48704
COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3 -
[4,5-diacetoxy-6-[(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy]-2-(sulfooxymethyl)tetrahydropyran-3-yl] acetate PubChem CID 498967
CC(=O)OC1C(COS(=O)(=O)O)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)=O)CCC43)C2)C(OC(C)=O)C1OC(C)=O -
[6-[(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl hydrogen sulfate PubChem CID 498968
CC(=O)C1CCC2C3CC=C4CC(OC5OC(COS(=O)(=O)O)C(O)C(O)C5O)CCC4(C)C3CCC12C -
(1R,2R,3aS,3bS,9aR,9bR,11aR)-1-[(2R,4E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-3a,6,6,9b,11a-pentamethyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione CAS 29803-94-9 PubChem CID 6441519
CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C -
(2R,4S)-4-[(5R,8S,11R)-11-(acetylamino)-8-methyl-7,10-dioxo-3,13-dithia-6,9-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-5-yl]-N-butyl-4-hydroxy-2-methylbutanamide PubChem CID 11846476
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCc2ccc(cc2)CSC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1 -
(5S,8R,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one CAS 312-99-2 PubChem CID 14428329
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO -
(6aR,6bS,7S,8aS,8bS,10R,11aR,12aS,12bS)-10-(4-(3-Aminobenzyl)phenyl)-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a-dimethyl-1,2,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-4H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4-one CAS 2166375-82-0 PubChem CID 134491939
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](c3ccc(Cc4cccc(N)c4)cc3)O[C@]12C(=O)CO -
Fludeoxyglucose Related Compound B, United States Pharmacopeia (USP) Reference Standard CAS 14685-79-1 PubChem CID 151933
O=C[C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO -
Cc1cc(C(C)(C)C)cc(C)c1CC(=O)NCCN -
(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 -
US8999957, Column 162-163, Compound 4 PubChem CID 91970672
O=C(N[C@@H]1CCCN(Cc2ccncc2)C1)C1CCC2NNC(c3ccc4c(c3)CCO4)C2C1 -
(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 -
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