| General Property |
| Molceule ID (DB) | EGIN0004292 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 10 compound |
| IUPAC Name | 7-{[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-7-methoxyquinazolin-6-yl]oxy}-N-hydroxyheptanamide |
| Formula | C29H30ClFN4O5 |
| Mass | 569.024 |
| Exact Mass | 568.188876 |
| Composition | C (61.21%), H (5.31%), Cl (6.23%), F (3.34%), N (9.85%), O (14.06%) |
| Atom Count | 70 |
| PI | 6.75 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)OC)OCCCCCCC(=O)NO |
| InChI | 1S/C29H30ClFN4O5/c1-38-26-16-24-22(15-27(26)39-12-5-3-2-4-9-28(36)35-37)29(33-18-32-24)34-21-10-11-2
5(23(30)14-21)40-17-19-7-6-8-20(31)13-19/h6-8,10-11,13-16,18,37H,2-5,9,12,17H2,1H3,(H,35,36)(H,32,33
,34) |
| InChIKey | OYAHQWRTIPQZIR-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 |
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|
| Drug Bank Link | - |
| ChemSpider Link | 24649320 |
| ChEMBL Link | CHEMBL598799 |
