| General Property |
| Molceule ID (DB) | EGIN0004287 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 5 compound |
| IUPAC Name | 6-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyhexanamide |
| Formula | C21H22ClFN4O4 |
| Mass | 448.875 |
| Exact Mass | 448.1313611 |
| Composition | C (56.19%), H (4.94%), Cl (7.9%), F (4.23%), N (12.48%), O (14.26%) |
| Atom Count | 53 |
| PI | 6.75 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)OCCCCCC(=O)NO |
| InChI | 1S/C21H22ClFN4O4/c1-30-18-11-17-14(10-19(18)31-8-4-2-3-5-20(28)27-29)21(25-12-24-17)26-13-6-7-16(23)
15(22)9-13/h6-7,9-12,29H,2-5,8H2,1H3,(H,27,28)(H,24,25,26) |
| InChIKey | CADRLZXVKIQPSG-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 | 24650793 |
| ChEMBL Link | CHEMBL598163 |
