| General Property |
| Molceule ID (DB) | EGIN0004295 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-N'-hydroxyoctanediamide |
| Formula | C23H25ClFN5O4 |
| Mass | 489.927 |
| Exact Mass | 489.1579102 |
| Composition | C (56.39%), H (5.14%), Cl (7.24%), F (3.88%), N (14.29%), O (13.06%) |
| Atom Count | 59 |
| PI | 6.67 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)NC(=O)CCCCCCC(=O)NO |
| InChI | 1S/C23H25ClFN5O4/c1-34-20-12-18-15(23(27-13-26-18)28-14-8-9-17(25)16(24)10-14)11-19(20)29-21(31)6-4-
2-3-5-7-22(32)30-33/h8-13,33H,2-7H2,1H3,(H,29,31)(H,30,32)(H,26,27,28) |
| InChIKey | SNGQUXXOIHSAPK-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 | 24650597 |
| ChEMBL Link | CHEMBL597773 |
