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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1,5-Isoquinolinediamine, N1-(4-chlorophenyl)-6-methyl-N5-[3-(9H-purin-6-yl)-2-pyridinyl]-, hydrochloride (1:2) CAS 1191385-19-9 PubChem CID 44247765
Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ncnc2nc[nH]c12.Cl.Cl -
4-(4 inverted exclamation marka-Phenoxyanilino)-6,7-dimethoxyquinazoline CAS 179248-59-0 PubChem CID 1474853
COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC -
(R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-N4-hydroxy-2-isobutylsuccinamide PubChem CID 87843855
CNC(=O)C(NC(=O)C(CC(=O)NO)CC(C)C)C(C)(C)C -
O=C(Nc1ccc(I)cc1)c1ccc([N+](=O)[O-])o1 -
4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;hydrochloride CAS 2253640-49-0 PubChem CID 137935722
Cl.NCC1CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1 -
3-?[2-?[4-?(Bis(4-?Fluorophenyl)?methylene)?-?1-?piperidinyl]?ethyl]?-?2,3-?dihydro-?2-?thioxo-?4(1H)?-?quinazolinone CAS 120166-69-0 PubChem CID 657356
O=c1c2ccccc2[nH]c(=S)n1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 -
2-[3-[4-(1~{H}-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-~{N}-propan-2-yl-ethanamide CAS 911417-87-3 PubChem CID 11950170
CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1 -
Purvalanol A; 2-(1R-Isopropyl-2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropyl-purine CAS 301836-43-1 PubChem CID 6419753
NC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)c(-c3ccccn3)[nH]2)cc1 -
4-[2-(5-Bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazinyl]benzenesulfonamide; 4-[(5-Bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazino]benzenesulfonamide; SC 221409; CAS 222035-13-4 PubChem CID 3551941
NS(=O)(=O)c1ccc(N=Nc2c(O)[nH]c3ccc(Br)cc23)cc1 -
3-{1-[3-(1H-imidazol-1-yl)propyl]-1H-indol-3-yl}-4-(phenylamino)-2,5-dihydro-1H-pyrrole-2,5-dione CAS 257879-35-9 PubChem CID 6419755
O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1Nc1ccccc1 -
Oxiranecarboxylic acid, 3-(((1-(((4-((aminoiminomethyl)amino)butyl)amino)carbonyl)-3-methylbutyl)amino)carbonyl)-, (2S-(2-alpha,3-beta(R*)))- CAS 66701-25-5 PubChem CID 123985
CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)NCCCCN=C(N)N -
1,3-Dimethyl-5-(2-(tetrahydro-2H-pyran-4-yl)-1-(2-(trifluoromethoxy)ethyl)-1H-benzo[d]imidazol-6-yl)pyridin-2(1H)-one CAS 2081072-29-7 PubChem CID 126582741
Cc1cc(-c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2)cn(C)c1=O -
Transforming Growth Factor-beta Type I Receptor Kinase Inhibitor V CAS 627536-09-8 PubChem CID 10316032
Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1 -
(3S)-5-fluoro-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxopentanoic acid CAS 161401-82-7 PubChem CID 5497171
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CF -
Carbamic acid, N-((1S)-2-(((1S)-1-formyl-2-(4-hydroxyphenyl)ethyl)amino)-2-oxo-1-(phenylmethyl)ethyl)-, phenylmethyl ester CAS 167498-29-5 PubChem CID 10456222
O=C[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 -
CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H]3CSSC[C@@H]4NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N)C(C)C)C(C)C)[C@@H](C)O)CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]5CCCN5C(=O)[C@@H]5CCCN5C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC4=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N3 -
6-(2-{4-[(4-fluorophenyl)(phenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one CAS 93076-89-2 PubChem CID 3012
Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1 -
2-(4-bromo-2-{[(5Z)-4-oxo-3-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid CAS 432001-69-9 PubChem CID 5733396
O=C(O)COc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2cccnc2)C1=O -
(2S)-6-acetamido-2-[[2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]acetyl]amino]-N-(4-methyl-2-oxo-chromen-7-yl)hexanamide CAS 660847-06-3 PubChem CID 10460379
CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 -
CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)CNC(=O)CNC(=O)[C@@H](Cc4ccc(O)cc4)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC3=O)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C)C(=O)O)CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]([C@H](C)O)C(=O)NCC(=O)N3CCC[C@@H]3C(=O)N2)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC1=O