| General Property |
| Molceule ID (DB) | EGIN0003502 |
| Inhibitor Class | Biaryl |
| Molecule Name in Refrence Article | 18d compound |
| IUPAC Name | N-[3-(3-amino-1,2-benzoxazol-6-yl)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
| Formula | C27H29N5O2 |
| Mass | 455.5515 |
| Exact Mass | 455.2321252 |
| Composition | C (71.19%), H (6.42%), N (15.37%), O (7.02%) |
| Atom Count | 63 |
| PI | 10.02 |
| Smiles | c1(cc2c(cc1)c(no2)N)c1cc(ccc1C)NC(=O)c1ccc(cc1)CN1CCN(CC1)C |
| InChI | 1S/C27H29N5O2/c1-18-3-9-22(16-24(18)21-8-10-23-25(15-21)34-30-26(23)28)29-27(33)20-6-4-19(5-7-20)17-
32-13-11-31(2)12-14-32/h3-10,15-16H,11-14,17H2,1-2H3,(H2,28,30)(H,29,33) |
| InChIKey | BGLPZSPBYFJHQQ-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 | 24708482 |
| ChEMBL Link | CHEMBL497353 |
