General Property |
Molceule ID (DB) | EGIN0003169 |
Inhibitor Class | thioaryl-thiazole |
Molecule Name in Refrence Article | 3 compound |
IUPAC Name | N-[5-({5-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-2-methylphenyl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(2R)-3,3-dimethylbutan-2-yl]amino}methyl)benzamide |
Formula | C32H41N5O4S2 |
Mass | 623.829 |
Exact Mass | 623.2599962 |
Composition | C (61.61%), H (6.62%), N (11.23%), O (10.26%), S (10.28%) |
Atom Count | 84 |
PI | 9.79 |
Smiles | c1c(ccc(c1)C(=O)Nc1sc(cn1)Sc1cc(c(cc1C)OC)C(=O)N1CCN(CC1)C(=O)C)CN[C@@H](C(C)(C)C)C |
InChI | 1S/C32H41N5O4S2/c1-20-16-26(41-7)25(30(40)37-14-12-36(13-15-37)22(3)38)17-27(20)42-28-19-34-31(43-28
)35-29(39)24-10-8-23(9-11-24)18-33-21(2)32(4,5)6/h8-11,16-17,19,21,33H,12-15,18H2,1-7H3,(H,34,35,39)
/t21-/m1/s1 |
InChIKey | ZHXNIYGJAOPMSO-OAQYLSRUSA-N |
2D Structure | ![](./image/EGIN0003169.png) | Structure Backbone | ![](./frame/f_EGIN0003169.png) |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 16682193 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Akt1 | Bmax | EGFR | ERK1 | IKKb | PKA | Syk | Zap70 | Fyn | IR | Txk | Tec | Itk | Lck | PKC | Cdk2 | GSK-3b | Btk | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 9642564 25058952 |
ChEMBL Link | CHEMBL209148 |