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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Hydrogen (4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-hydroxynaphthalene-1-sulphonato CAS 85443-59-0 PubChem CID 119057935
CNCCO.Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1c(O)cc(S(=O)(=O)O)c2ccccc12.O.[Cr].[H+] -
2-((3-(Benzyloxy)-1-((benzyloxy)carbonyl)-3-oxopropyl)amino)-2-oxoethylphosphonic acid compound with PubChem CID 353538
NC1CCCCC1.O=C(CP(=O)(O)O)NC(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 -
N-(9,10-Dioxo-6-((3-(2-piperidinyl)propanoyl)amino)-9,10-dihydro-2-anthracenyl)-3-(1-piperidinyl)propanamide PubChem CID 374319
CI.O=C(CCC1CCCCN1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3)cc1C2=O -
[3-Benzo[1,3]dioxol-5-yl-3-(2-{4-[1-(4-fluoro-benzyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl}-ethyl PubChem CID 10123138
COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc4c(c3)OCO4)C2)cc(OC)c1OC -
2-(3-Cyano-4-(pyrrolidin-1-yl)-4-thioxobut-2-enylidene)-2H-benzoxazole-3-propanesulphonic acid, compound CAS 94349-28-7 PubChem CID 44153565
CCN(CC)CC.N#C/C(=C/C=C1\Oc2ccccc2N1CCCS(=O)(=O)O)C(=S)N1CCCC1 -
(1E,3E)-1-(3-ethyl-5-methoxybenzo[d]thiazol-2(3H)-ylidene)pent-3-en-2-one compound with picric acid ( CAS 1217242-73-3 PubChem CID 52997465
C/C=C/C(=O)/C=C1/Sc2ccc(OC)cc2N1CC.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 -
2-(3-Cyano-4-(pyrrolidin-1-yl)-4-thioxobut-2-enylidene)-2H-benzoxazole-3-propanesulphonic acid, compound CAS 94349-28-7 PubChem CID 57356788
CCN(CC)CC.N#CC(=CC=C1Oc2ccccc2N1CCCS(=O)(=O)O)C(=S)N1CCCC1 -
Linagliptin Related Compound B, N-[(3R)-1-[7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl- CAS 668273-75-4 PubChem CID 66754802
CC#CCn1c(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C -
4,4'-methylenebis[3-hydroxy-2-naphthoic] acid, compound with 10-[3-(4-hydroxypiperidin-1-yl)propyl]-10H-phenothiazine CAS 61389-47-7 PubChem CID 86278631
N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O -
US9522910, Table 1 Compound 2: 3-[2-(1H-1,3-benzodiazol-1-yl)ethynyl]-4-methyl-N-{4-[(4-methylpiperazin PubChem CID 90214536
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cn1cnc2ccccc21 -
2-(4-benzyl-1-piperidinyl)-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido PubChem CID 90486385
CCO.CN1C(=O)/C(=C/c2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S -
2-(3-Cyano-4-(pyrrolidin-1-yl)-4-thioxobut-2-enylidene)-5-methoxy-2H-benzoxazole-3-propanesulphonic acid CAS 28344-99-2 PubChem CID 122361339
CCN(CC)CC.COc1ccc2c(c1)N(CCCS(=O)(=O)O)/C(=C/C=C(\C#N)C(=S)N1CCCC1)O2 -
2,2,2-Trifluoroacetic acid compound with 3-(2-(4-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl CAS 2731007-12-6 PubChem CID 165604870
O=C(O)C(F)(F)F.O=C(O)CCOCCN1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 -
Synthesis of Compound 229, 1-(4-((7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)-L-prolyl PubChem CID 166085496
CC(C)(O)CC(=O)N1CCN(C(=O)[C@@H]2CCCN2c2nc(N)n3nc(-c4ccco4)nc3n2)CC1 -
synthesis of compound 1-(3-hydroxy-3-methylazetidin-1-yl)-2-{4-[(7-{8-methyl-1H,2H,3H-pyrido[2,3-b][1,4 PubChem CID 170324948
Cc1c(N2CCc3cnc(Nc4ccc(CC(=O)N5CC(C)(O)C5)cc4)nc3C2)cnc2c1NCCO2 -
Trihydrogen bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzene CAS 84030-54-6 PubChem CID 91844593
Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1O.Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1O.NC1CCCCC1.NC1CCCCC1.NC1CCCCC1.[Cr].[H+].[H+].[H+] -
Trihydrogen bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzene CAS 84195-87-9 PubChem CID 119057611
CCCCCCCCCCCCN(CCO)CCO.CCCCCCCCCCCCN(CCO)CCO.CCCCCCCCCCCCN(CCO)CCO.Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1O.Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1O.[Cr].[H+].[H+].[H+] -
Phosphoric acid 2-chloro-phenyl ester 12-(2-{1-[3-(3-methyl-indol-1-yl)-propyl]-1H-indol-3-yl}-acetylamino PubChem CID 9918266
Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCCOP(=O)(O)Oc3ccccc3Cl)c3ccccc32)c2ccccc12 -
2-CYANO-3-(2-HYDROXY-4,4-DIMETHYL-6-OXO-1-CYCLOHEXEN-1-YL)-3-(3-PYRIDINYL)PROPANETHIOAMIDE COMPOUND WITH PubChem CID 13677405
C1COCCN1.CC1(C)CC(=O)C(C(c2cccnc2)C(C#N)C(N)=S)=C(O)C1 -
N-[3-[[2-Methoxy-4-[[[(3-methylphenyl)sulfonyl]amino]carbonyl]phenyl]methyl]-1-methyl-1H-indol-5-yl]carbamic CAS 1159195-69-3 PubChem CID 42633112
COc1cc(C(=O)NS(=O)(=O)c2cccc(C)c2)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12