| General Property |
| Molceule ID (DB) | EGIN0003073 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 7b compound |
| IUPAC Name | 6-(buta-2,3-dien-1-yloxy)-4-[(3-chloro-4-fluorophenyl)amino]quinazolin-7-ol |
| Formula | C18H13ClFN3O2 |
| Mass | 357.766 |
| Exact Mass | 357.0680326 |
| Composition | C (60.43%), H (3.66%), Cl (9.91%), F (5.31%), N (11.75%), O (8.94%) |
| Atom Count | 38 |
| PI | 6.54 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)O)OCC=C=C |
| InChI | 1S/C18H13ClFN3O2/c1-2-3-6-25-17-8-12-15(9-16(17)24)21-10-22-18(12)23-11-4-5-14(20)13(19)7-11/h3-5,7-
10,24H,1,6H2,(H,21,22,23) |
| InChIKey | RIBKVVLEGYLFLZ-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 | 19969465 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24649999 |
| ChEMBL Link | CHEMBL597950 |
