| General Property |
| Molceule ID (DB) | EGIN0003070 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6a compound |
| IUPAC Name | N-(3-chlorophenyl)-7-methoxy-6-(prop-2-yn-1-yloxy)quinazolin-4-amine |
| Formula | C18H14ClN3O2 |
| Mass | 339.776 |
| Exact Mass | 339.0774544 |
| Composition | C (63.63%), H (4.15%), Cl (10.43%), N (12.37%), O (9.42%) |
| Atom Count | 38 |
| PI | 10.25 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)OC)OCC#C |
| InChI | 1S/C18H14ClN3O2/c1-3-7-24-17-9-14-15(10-16(17)23-2)20-11-21-18(14)22-13-6-4-5-12(19)8-13/h1,4-6,8-11
H,7H2,2H3,(H,20,21,22) |
| InChIKey | WBACAQZZINXVMK-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 |
46230527
|
| Drug Bank Link | - |
| ChemSpider Link | 24649902 |
| ChEMBL Link | CHEMBL597948 |
