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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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, [2S CAS 4599-60-4 PubChem CID 54688692
CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O.CN(C)[C@@H]1C(=O)C(C(=O)NCN2CCN(CCO)CC2)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)C3C[C@@H]12 -
4-(4,5-Dihydro-4-(3-(5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl)allylidene)-3-methyl-5-oxo CAS 84100-38-9 PubChem CID 57358832
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1=CC=Cc1c(C)[nH]n(-c2ccc(S(=O)(=O)O)cc2)c1=O.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC -
Benzenesulfonamide, N,N'-[1,2-ethanediylbis[oxy[5-(2-methoxyphenoxy)[2,2'-bipyrimidine]-6,4-diyl]]]bis[4- CAS 1097263-60-9 PubChem CID 59509251
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCOc1nc(-c2ncccn2)nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC -
rac cis-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine Hydrochloride; rac-cis-Paroxetine CAS 105813-03-4 PubChem CID 67842253
Cl.Fc1ccc([C@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 -
(2Z)-4-{6-fluoro-1-[(4-fluorophenyl)methyl]-4- oxoquinolin-3-yl}-2-hydroxy-4-oxobut-2-enoic acid (Compound PubChem CID 68446170
O=C(O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(F)cc2c1=O -
7-[(2-Aminoethyl)amino]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid hydrochloride CAS 528851-31-2 PubChem CID 69239765
Cl.NCCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 -
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(3-(2- methyl-6-(4-methylpiperazin-1-yl)pyrimidin- 4-ylamino PubChem CID 70674989
Cc1nc(Nc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)cc(N2CCN(C)CC2)n1 -
Tricopper(1+) hydrogen hexakis(cyano-C)ferrate(4-), compound with 4-((4-(dimethylamino)phenyl)(4-(ethylimino CAS 95009-03-3 PubChem CID 71301196
CCN=C1C=CC(=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccccc21.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cu+].[Cu+].[Cu+].[Fe+2].[H+] -
Fenofibrate USP Related Compound C; 1-Methylethyl 2-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl CAS 217636-48-1 PubChem CID 71316725
CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 -
(4S)-6-Chloro-4-[(1E)-2-cyclopropylethenyl]-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one; CAS 440124-96-9 PubChem CID 71587736
O=C1Nc2ccc(Cl)cc2[C@@](/C=C/C2CC2)(C(F)(F)F)O1 -
Synthesis of N-(4-(2-methylpyridin-4-yl)benzyl)-2-(2-methylpyridin-4-yl)-1,6-naphthyridin-5-amine (Compound PubChem CID 71618461
Cc1cc(-c2ccc(CNc3nccc4nc(-c5ccnc(C)c5)ccc34)cc2)ccn1 -
1-Naphthalenemethanamine, N-[(2Z)-6,6-dimethyl-2-hepten-4-yn-1-yl]-N-methyl-, hydrochloride (1:1); 1- CAS 176168-78-8 PubChem CID 71752365
CN(C/C=C\C#CC(C)(C)C)Cc1cccc2ccccc12.Cl -
4-(((2R,6S)-2,6-Dimethyl-4-(4-(trifluoromethoxy)phenyl)piperazin-1-yl)sulfonyl)-2,3-dihydro-1H-indene CAS 934760-90-4 PubChem CID 75412604
C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)C[C@H](C)N1S(=O)(=O)c1cccc2c1CC(C(=O)O)C2.Cc1ccc(S(=O)(=O)O)cc1 -
3-((3R,4S)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile PubChem CID 78358350
C[C@@H]1CCN(C(=O)CC#N)C[C@H]1N(C)c1ncnc2[nH]ccc12.C[C@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12 -
N-methyl-N-((3R,4S)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine compound with N-methyl-N CAS 2459302-75-9 PubChem CID 78358358
C[C@@H]1CCNC[C@H]1N(C)c1ncnc2[nH]ccc12.C[C@H]1CCNC[C@@H]1N(C)c1ncnc2[nH]ccc12 -
N-((3R,4S)-1-benzyl-4-methylpiperidin-3-yl)-2-chloro-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine compound PubChem CID 78358398
C[C@@H]1CCN(Cc2ccccc2)C[C@H]1N(C)c1nc(Cl)nc2[nH]ccc12.C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1nc(Cl)nc2[nH]ccc12 -
N-((3R,4R)-1-benzyl-4-Methylpiperidin-3-yl)-2-chloro-N-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine coMpound PubChem CID 78358430
C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1nc(Cl)nc2[nH]ccc12.C[C@H]1CCN(Cc2ccccc2)C[C@H]1N(C)c1nc(Cl)nc2[nH]ccc12 -
4-(4-fluoro-phenyl)-piperidine-4-carboxylic acid [(S)-1-(4-fluoro-phenyl)-ethyl]-amide; compound with PubChem CID 86646237
C[C@H](NC(=O)C1(c2ccc(F)cc2)CCNCC1)c1ccc(F)cc1.O=C(O)C(F)(F)F -
(1R,2S)-methyl 2-(4-(3-(3-chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-5-yl)phenylamino)cyclopentanecarboxylate PubChem CID 86657068
COC(=O)[C@@H]1CCC[C@@H]1Nc1ccc(-c2nc(-c3ccc(OC(C)C)c(Cl)c3)no2)cc1.COC(=O)[C@H]1CCC[C@H]1Nc1ccc(-c2nc(-c3ccc(OC(C)C)c(Cl)c3)no2)cc1 -
(1R,2S)-2-(4-(3-(3-chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-5-yl)phenylamino)cyclopentanecarboxylic PubChem CID 86657069
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