| General Property |
| Molceule ID (DB) | EGIN0001093 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | EXEL-7647 (XL647) |
| IUPAC Name | 7-{[(3aR,5R,6aS)-2-methyl-octahydrocyclopenta[c]pyrrol-5-yl]methoxy}-N-(3,4-dichloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine |
| Formula | C24H25Cl2FN4O2 |
| Mass | 491.385 |
| Exact Mass | 490.1338597 |
| Composition | C (58.66%), H (5.13%), Cl (14.43%), F (3.87%), N (11.4%), O (6.51%) |
| Atom Count | 58 |
| PI | 11.64 |
| Smiles | c1(c2c(ncn1)cc(c(c2)OC)OC[C@H]1C[C@H]2[C@@H](C1)CN(C2)C)Nc1ccc(c(c1F)Cl)Cl |
| InChI | 1S/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4
-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13-,14+,15- |
| InChIKey | HVXKQKFEHMGHSL-QDMKHBRRSA-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 | 17575237 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | EphB4 | Flt4 | IGF1R | InsR | KDR | ALL |
| Pub Chem Link |
10458325
|
| Drug Bank Link | - |
| ChemSpider Link | 8633739 |
| ChEMBL Link | - |
