| General Property |
| Molceule ID (DB) | EGIN0003078 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6e compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-(hex-5-yn-1-yloxy)-7-methoxyquinazolin-4-amine |
| Formula | C21H19ClFN3O2 |
| Mass | 399.846 |
| Exact Mass | 399.1149828 |
| Composition | C (63.08%), H (4.79%), Cl (8.87%), F (4.75%), N (10.51%), O (8%) |
| Atom Count | 47 |
| PI | 10.35 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)OCCCCC#C |
| InChI | 1S/C21H19ClFN3O2/c1-3-4-5-6-9-28-20-11-15-18(12-19(20)27-2)24-13-25-21(15)26-14-7-8-17(23)16(22)10-1
4/h1,7-8,10-13H,4-6,9H2,2H3,(H,24,25,26) |
| InChIKey | OEVCNTKKXWSHFC-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 |
46229769
|
| Drug Bank Link | - |
| ChemSpider Link | 24644712 |
| ChEMBL Link | CHEMBL591039 |
