| General Property |
| Molceule ID (DB) | EGIN0004290 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | 7-({4-[(3-ethynylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyheptanamide |
| Formula | C24H26N4O4 |
| Mass | 434.4876 |
| Exact Mass | 434.1954053 |
| Composition | C (66.34%), H (6.03%), N (12.89%), O (14.73%) |
| Atom Count | 58 |
| PI | 6.74 |
| Smiles | n1cnc(c2c1cc(c(c2)OCCCCCCC(=O)NO)OC)Nc1cc(ccc1)C#C |
| InChI | 1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-2
3(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27) |
| InChIKey | PLIVFNIUGLLCEK-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 | 20166671 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | HDAC | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24650802 |
| ChEMBL Link | CHEMBL598797 |
