| General Property |
| Molceule ID (DB) | EGIN0003438 |
| Inhibitor Class | Benzoxazole |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | 4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide |
| Formula | C26H26ClN5O4 |
| Mass | 507.969 |
| Exact Mass | 507.1673321 |
| Composition | C (61.48%), H (5.16%), Cl (6.98%), N (13.79%), O (12.6%) |
| Atom Count | 62 |
| PI | 9.26 |
| Smiles | c1cc(cc(c1Cl)OC[C@H]1N(CCC1)C)Nc1nc2cc(ccc2o1)Oc1cc(ncc1)C(=O)NC |
| InChI | 1S/C26H26ClN5O4/c1-28-25(33)22-14-19(9-10-29-22)35-18-6-8-23-21(13-18)31-26(36-23)30-16-5-7-20(27)24
(12-16)34-15-17-4-3-11-32(17)2/h5-10,12-14,17H,3-4,11,15H2,1-2H3,(H,28,33)(H,30,31)/t17-/m0/s1 |
| InChIKey | KMNCFOUKJYOZIF-KRWDZBQOSA-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 | 17696416 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDK1 | CDK5p25 | cFMS | c-Kit | c-Met | E2K2 | FGF | GSK-3 beta | IGFR1 | JNK1 | JNK2 | JNK3 | KDR | LCK | p38 alpha | p38 beta | Src | TIE2 | Zap70 | ALL |
| Pub Chem Link |
11620410
|
| Drug Bank Link | - |
| ChemSpider Link | 9795158 |
| ChEMBL Link | CHEMBL231568 |
