| General Property |
| Molceule ID (DB) | EGIN0004304 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | 7-[(4-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-7-methoxyquinazolin-6-yl)oxy]-N-hydroxyheptanamide |
| Formula | C24H29ClN4O4 |
| Mass | 472.964 |
| Exact Mass | 472.1877331 |
| Composition | C (60.95%), H (6.18%), Cl (7.5%), N (11.85%), O (13.53%) |
| Atom Count | 62 |
| PI | 7.13 |
| Smiles | c1(c(cc2c(c1)c(ncn2)N[C@H](c1ccc(cc1)Cl)C)OC)OCCCCCCC(=O)NO |
| InChI | 1S/C24H29ClN4O4/c1-16(17-8-10-18(25)11-9-17)28-24-19-13-22(21(32-2)14-20(19)26-15-27-24)33-12-6-4-3-
5-7-23(30)29-31/h8-11,13-16,31H,3-7,12H2,1-2H3,(H,29,30)(H,26,27,28)/t16-/m0/s1 |
| InChIKey | XDFXVPOVSDJRPC-INIZCTEOSA-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 | 24650016 |
| ChEMBL Link | CHEMBL598407 |
