| General Property |
| Molceule ID (DB) | EGIN0003076 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6d compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(pent-4-yn-1-yloxy)quinazolin-4-amine |
| Formula | C20H17ClFN3O2 |
| Mass | 385.819 |
| Exact Mass | 385.0993327 |
| Composition | C (62.26%), H (4.44%), Cl (9.19%), F (4.92%), N (10.89%), O (8.29%) |
| Atom Count | 44 |
| PI | 10.35 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)OCCCC#C |
| InChI | 1S/C20H17ClFN3O2/c1-3-4-5-8-27-19-10-14-17(11-18(19)26-2)23-12-24-20(14)25-13-6-7-16(22)15(21)9-13/h
1,6-7,9-12H,4-5,8H2,2H3,(H,23,24,25) |
| InChIKey | NUKACQQCRSOUHL-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 |
46229767
|
| Drug Bank Link | - |
| ChemSpider Link | 24645428 |
| ChEMBL Link | CHEMBL592216 |
