| General Property |
| Molceule ID (DB) | EGIN0004298 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | 7-[(4-{[(4-chloro-3-fluorophenyl)methyl]amino}-7-methoxyquinazolin-6-yl)oxy]-N-hydroxyheptanamide |
| Formula | C23H26ClFN4O4 |
| Mass | 476.928 |
| Exact Mass | 476.1626613 |
| Composition | C (57.92%), H (5.49%), Cl (7.43%), F (3.98%), N (11.75%), O (13.42%) |
| Atom Count | 59 |
| PI | 7.14 |
| Smiles | c1(c(cc2c(c1)c(ncn2)NCc1ccc(c(c1)F)Cl)OC)OCCCCCCC(=O)NO |
| InChI | 1S/C23H26ClFN4O4/c1-32-20-12-19-16(11-21(20)33-9-5-3-2-4-6-22(30)29-31)23(28-14-27-19)26-13-15-7-8-1
7(24)18(25)10-15/h7-8,10-12,14,31H,2-6,9,13H2,1H3,(H,29,30)(H,26,27,28) |
| InChIKey | NEZCKIVFZVYNMQ-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 | 20143778 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | HDAC | |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 24648398 |
| ChEMBL Link | CHEMBL596957 |
