| General Property |
| Molceule ID (DB) | EGIN0003503 |
| Inhibitor Class | Biaryl |
| Molecule Name in Refrence Article | 4d compound |
| IUPAC Name | N-{3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-4-methylphenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
| Formula | C29H31N5OS |
| Mass | 497.654 |
| Exact Mass | 497.2249313 |
| Composition | C (69.99%), H (6.28%), N (14.07%), O (3.21%), S (6.44%) |
| Atom Count | 67 |
| PI | 10.03 |
| Smiles | c1(ccc(cc1)c1nc(sc1)N)c1cc(ccc1C)NC(=O)c1ccc(cc1)CN1CCN(CC1)C |
| InChI | 1S/C29H31N5OS/c1-20-3-12-25(17-26(20)22-8-10-23(11-9-22)27-19-36-29(30)32-27)31-28(35)24-6-4-21(5-7-
24)18-34-15-13-33(2)14-16-34/h3-12,17,19H,13-16,18H2,1-2H3,(H2,30,32)(H,31,35) |
| InChIKey | BGOWMSRXCRUANU-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 18789685 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | JNK3 | CDK2 | VEGFR2 | PLK1 | SGK1 | LCK | cFMS | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24706584 |
| ChEMBL Link | CHEMBL496129 |
