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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6,6-Dimethyl-2-propyl-3-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-3,6-dihydro-4H-furo[3,4-d]imidazol CAS 849206-43-5 PubChem CID 71751323
CCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)OC2(C)C -
1-Piperazineethanol, 4-[3-[5,5-dioxido-2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]- (9CI); 1-Piperazineethanol CAS 1476-79-5 PubChem CID 72941445
O=S1(=O)c2ccccc2N(CCCN2CCN(CCO)CC2)c2cc(C(F)(F)F)ccc21 -
2-[(1E,3E)-5-[(2E)-3-(3-{[(5R)-5-carbamoyl-5-[(4- {[13-chloro-10-(2-fluoro-6-methoxyphenyl)-3,5,9- triazatricyclo PubChem CID 74982890
CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)c2ccc(Nc3ncc4c(n3)-c3ccc(Cl)cc3C(c3c(F)cccc3OC)=NC4)cc2OC)C(N)=O)c2cc(S(=O)(=O)O)ccc21 -
formic acid compound with N1-[(3S)-1-azabicyclo[2.2.2]oct-3-yl]-N5-((1S,2R)-1-(3,5-difluorobenzyl)-3- PubChem CID 86594204
CCc1cccc(C2(NC[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)CCCC(=O)N[C@@H]3CN4CCC3CC4)CC2)c1.O=CO -
formic acid compound with N1-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-N5-((1S,2R)-1-(3,5-difluorobenzyl)-3- PubChem CID 86594205
CCc1cccc(C2(NC[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)CCCC(=O)N[C@H]3CN4CCC3CC4)CC2)c1.O=CO -
formic acid compound with N1-[(3S)-1-azabicyclo[2.2.2]oct-3-yl]-N4-((1S,2R)-1-(3,5-difluorobenzyl)-3- PubChem CID 86594206
CCc1cccc(C2(NC[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)CCC(=O)N[C@@H]3CN4CCC3CC4)CC2)c1.O=CO -
formic acid compound with N1-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-N4-((1S,2R)-1-(3,5-difluorobenzyl)-3- PubChem CID 86594207
CCc1cccc(C2(NC[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)CCC(=O)N[C@H]3CN4CCC3CC4)CC2)c1.O=CO -
Formic acid compound with 3-[4-({3-[2-({(2R)-2-Hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino PubChem CID 86613004
NC(=O)c1cccc(CCCCOCc2cccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c1.O=CO -
Formic acid compound with 3-[2-({3-[2-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino PubChem CID 86613005
NS(=O)(=O)c1cccc(CCOCc2cccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c1.O=CO -
3-[3-(Azetidin-3-ylamino)-4-trifluoromethoxyphenyl]-5,5-dimethyl-1-pyridin-4-ylmethylimidazolidine-2,4 PubChem CID 86617225
CC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC3CNC3)c2)C(=O)N1Cc1ccncc1.O=C(O)C(F)(F)F -
(7aS,11aS)-methyl 3-bromo-7,7a,8,10,11,11a-hexahydro-6H-spiro[dibenzo[b,d]oxepine-9,2'-[1, 3]dioxolane PubChem CID 86671202
COC(=O)[C@@]12CCC3(C[C@@H]1CCOc1cc(Br)ccc12)OCCO3.COC(=O)[C@]12CCC3(C[C@H]1CCOc1cc(Br)ccc12)OCCO3 -
US9522910, Table 1 Compound 3: 3-{2-[2-methyl-5-({4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl PubChem CID 90214276
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1nnc2cc(C(=O)O)ccn12 -
US9522910, Table 1 Compound 5: 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl PubChem CID 90214492
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1nnc2cccnn12 -
3-((5Z)-5-{[2-(4-METHYL-1-PIPERIDINYL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLENE}-4-OXO-2-THIOXO PubChem CID 90486386
CC1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCC(=O)O)C2=O)CC1.CCO -
ETHYL [1-(3-{(E)-[3-(4-METHYLBENZYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-4-OXO-4H-PYRIDO PubChem CID 90486577
CCOC(=O)CC1C(=O)NCCN1c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(C)cc2)C1=O.CN(C)C=O -
Chromate(1-), [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-N-(1-methylethyl CAS 81361-04-8 PubChem CID 91809025
CC(C)N.CC(C)NS(=O)(=O)c1ccc(O)c(N=Nc2c(O)ccc3ccccc23)c1.Cc1nn(-c2ccccc2)c(=O)[c-]1N=Nc1cc(S(=O)(=O)NC(C)C)ccc1O.[Cr].[H+] -
(Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-(3-{hydroxy-[4-(2H-tetrazol-5-yl)-phenyl]-methyl}-phenyl)-acrylonitrile PubChem CID 91932861
N#CC(C(=N)Sc1ccccc1N)c1cccc(C(O)c2ccc(-c3nn[nH]n3)cc2)c1 -
(3S,6S,9R,12S,15S,23S)-12-((1H-imidazol-5-yl)methyl)-3-((1H-indol-3-yl)methyl)-15-((S)-2-acetamidohexanamido CAS 1607799-13-2 PubChem CID 91971505
CC(=O)O.CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O -
Nelfinavir Related Compound A (15 mg) ((3S,4aS,8aS)-N-tert-Butyl-2-[(2R,3R)-2-hydroxy-3-(3-hydroxy-2- CAS 1041389-28-9 PubChem CID 92018934
Cc1c(O)cccc1C(=O)NC(CS(=O)c1ccccc1)C(O)CN1CC2CCCCC2CC1C(=O)NC(C)(C)C -
(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]