| General Property |
| Molceule ID (DB) | EGIN0004296 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | 7-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}sulfanyl)-N-hydroxyheptanamide |
| Formula | C22H24ClFN4O3S |
| Mass | 478.967 |
| Exact Mass | 478.1241673 |
| Composition | C (55.17%), H (5.05%), Cl (7.4%), F (3.97%), N (11.7%), O (10.02%), S (6.69%) |
| Atom Count | 56 |
| PI | 6.65 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)SCCCCCCC(=O)NO |
| InChI | 1S/C22H24ClFN4O3S/c1-31-19-12-18-15(11-20(19)32-9-5-3-2-4-6-21(29)28-30)22(26-13-25-18)27-14-7-8-17(
24)16(23)10-14/h7-8,10-13,30H,2-6,9H2,1H3,(H,28,29)(H,25,26,27) |
| InChIKey | IXWWFHBAOSNFBD-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 | 24648208 |
| ChEMBL Link | CHEMBL596754 |
