| General Property |
| Molceule ID (DB) | EGIN0003072 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6b compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(prop-2-yn-1-yloxy)quinazolin-4-amine |
| 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 | 10.33 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)OCC#C |
| InChI | 1S/C18H13ClFN3O2/c1-3-6-25-17-8-12-15(9-16(17)24-2)21-10-22-18(12)23-11-4-5-14(20)13(19)7-11/h1,4-5,
7-10H,6H2,2H3,(H,21,22,23) |
| InChIKey | QCPPIWXNTVLCAK-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 |
46230529
|
| Drug Bank Link | - |
| ChemSpider Link | 24649998 |
| ChEMBL Link | CHEMBL597949 |
