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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(1R,2R)-2-(4-(3-(3-chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-5-yl)phenylamino)cyclopentanecarboxylic PubChem CID 86657070
CC(C)Oc1ccc(-c2noc(-c3ccc(N[C@@H]4CCC[C@H]4C(=O)O)cc3)n2)cc1Cl.CC(C)Oc1ccc(-c2noc(-c3ccc(N[C@H]4CCC[C@@H]4C(=O)O)cc3)n2)cc1Cl -
3-Methyl-1-(4-(methylsulfonyl)phenyl)-4-nitro-1H-pyrazole compound with 5-methyl-1-(4-(methylsulfonyl PubChem CID 86666689
Cc1c([N+](=O)[O-])cnn1-c1ccc(S(C)(=O)=O)cc1.Cc1nn(-c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] -
1-(4-methoxyphenyl)-4-vinyl-1H-pyrazole compound with 4-bromo-1-(4-methoxyphenyl)-1H-pyrazole PubChem CID 86709101
C=Cc1cnn(-c2ccc(OC)cc2)c1.COc1ccc(-n2cc(Br)cn2)cc1 -
1H-Pyrrole-1-heptanoic acid, 2,3-bis(4-fluorophenyl)-ss,d-dihydroxy-5-(1-methylethyl)-4-[(phenylamino CAS 693793-53-2 PubChem CID 88038664
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2] -
ethyl 4-amino-4-(pyridin-3-yl)butanoate compound with isopropyl 4-amino-4-(pyridin-3-yl)butanoate (1: PubChem CID 91623596
CC(C)OC(=O)CCC(N)c1cccnc1.CCOC(=O)CCC(N)c1cccnc1.Cl.Cl -
((S)-2-(((S)-1-(((2S,3S)-1-(((S)-1-carboxy-3-methylbutyl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(4- PubChem CID 91827267
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CCOCCOCCOCCn1cc(CCCOc2cc(OCCCc3c(C)n[nH]c3C)cc(C(=O)O)c2)nn1)C(=O)N[C@@H](CC(C)C)C(=O)O -
(betaS,deltaR)-2-(4-fluorophenyl)-ss,d-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl] CAS 887196-25-0 PubChem CID 92135132
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@H](O)CC(=O)[O-].[Ca+2] -
(2Z)-2-butenedioic acid compound with methyl 4-[(4-{3-[4-(4-chlorobenzyl)-1-piperazinyl]propoxy}phenyl PubChem CID 117069398
COC(=O)c1ccc(Sc2ccc(OCCCN3CCN(Cc4ccc(Cl)cc4)CC3)cc2)cc1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O -
(2Z)-2-butenedioic acid compound with 3-[4-(4-chlorobenzyl)-1-piperazinyl]propyl 2',4'-difluoro[1,1'- PubChem CID 117069401
Fc1ccc(-c2ccc(OCCCN3CCN(Cc4ccc(Cl)cc4)CC3)cc2)c(F)c1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O -
N-((3R,4S)-1-benzyl-4-Methylpiperidin-3-yl)-N-Methyl-7-tosyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine coMpound PubChem CID 118703512
Cc1ccc(S(=O)(=O)n2ccc3c(N(C)[C@@H]4CN(Cc5ccccc5)CC[C@H]4C)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)[C@H]4CN(Cc5ccccc5)CC[C@@H]4C)ncnc32)cc1 -
N-Methyl-N-((3R,4R)-4-Methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyriMidin-4-aMine coMpound with N-Methyl-N PubChem CID 118703523
C[C@@H]1CCNC[C@@H]1N(C)c1ncnc2[nH]ccc12.C[C@H]1CCNC[C@H]1N(C)c1ncnc2[nH]ccc12 -
(1R,2S,4R)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept PubChem CID 124220211
COc1ccc(N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@@H]3O[C@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1.COc1ccc(N(CC(F)(F)F)S(=O)(=O)[C@H]2C[C@H]3O[C@@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1 -
(1R,2S,4R)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept PubChem CID 124220212
O=S(=O)([C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(Cl)cc1.O=S(=O)([C@H]1C[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(Cl)cc1 -
(1R,2S,4R)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide compound PubChem CID 124220214
O=S(=O)(Nc1ccc(Cl)cc1)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1.O=S(=O)(Nc1ccc(Cl)cc1)[C@H]1C[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 -
(1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide PubChem CID 124220218
CCN(c1ccc(OC)cc1)S(=O)(=O)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1.CCN(c1ccc(OC)cc1)S(=O)(=O)[C@H]1C[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 -
(1R,2S,4R)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide PubChem CID 124220220
CCN(c1ccc(Cl)cc1)S(=O)(=O)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1.CCN(c1ccc(Cl)cc1)S(=O)(=O)[C@H]1C[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 -
Diltiazem Related compound H; (2S,3S)-5-(2-Aminoethyl)-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1, 5 CAS 115992-91-1 PubChem CID 124580970
NCCN1C(=O)[C@H](O)[C@H](c2ccc(O)cc2)Sc2ccccc21 -
(2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-2-((benzoyloxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl PubChem CID 127256011
C[C@@]1(F)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@@H]1n1cnc2c(N)ncnc21.C[C@@]1(F)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1cnc2c(N)ncnc21 -
Platinum, [(1S,2S)-1,2-cyclohexanediamine-kappaN1,kappaN2][ethanedioato(2-)-kappaO1,kappaO2]-, (SP-4- CAS 61758-77-8 PubChem CID 129011604
N[C@H]1CCCC[C@@H]1N.O=C([O-])C(=O)[O-].[Pt+4] -
6-{4-[1-(2-dimethylamino-ethyl)-4-(4-fluoro-3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-piperidin-1-yl PubChem CID 131733531
C=Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN(C)C)CC1.O=C(O)C(F)(F)F