| General Property |
| Molceule ID (DB) | EGIN0004291 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | 7-({4-[(3-ethynyl-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyheptanamide |
| Formula | C24H25FN4O4 |
| Mass | 452.4781 |
| Exact Mass | 452.1859835 |
| Composition | C (63.71%), H (5.57%), F (4.2%), N (12.38%), O (14.14%) |
| Atom Count | 58 |
| PI | 6.75 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)C#C)OC)OCCCCCCC(=O)NO |
| InChI | 1S/C24H25FN4O4/c1-3-16-12-17(9-10-19(16)25)28-24-18-13-22(21(32-2)14-20(18)26-15-27-24)33-11-7-5-4-6
-8-23(30)29-31/h1,9-10,12-15,31H,4-8,11H2,2H3,(H,29,30)(H,26,27,28) |
| InChIKey | ISCACOSJZYPVNU-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 | 24650803 |
| ChEMBL Link | CHEMBL598798 |
