| General Property |
| Molceule ID (DB) | EGIN0004286 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 4 compound |
| IUPAC Name | 5-({4-[(3-ethynylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxypentanamide |
| Formula | C22H22N4O4 |
| Mass | 406.4345 |
| Exact Mass | 406.1641052 |
| Composition | C (65.01%), H (5.46%), N (13.78%), O (15.75%) |
| Atom Count | 52 |
| PI | 6.74 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(ccc1)C#C)OC)OCCCCC(=O)NO |
| InChI | 1S/C22H22N4O4/c1-3-15-7-6-8-16(11-15)25-22-17-12-20(30-10-5-4-9-21(27)26-28)19(29-2)13-18(17)23-14-2
4-22/h1,6-8,11-14,28H,4-5,9-10H2,2H3,(H,26,27)(H,23,24,25) |
| InChIKey | YTSHEQYHNLLMSR-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 | 24650370 |
| ChEMBL Link | CHEMBL599398 |
