| General Property |
| Molceule ID (DB) | EGIN0001514 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8c compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-{4-[(methanesulfonylmethyl)amino]butoxy}quinazolin-4-amine |
| Formula | C20H22ClFN4O3S |
| Mass | 452.93 |
| Exact Mass | 452.1085172 |
| Composition | C (53.04%), H (4.9%), Cl (7.83%), F (4.19%), N (12.37%), O (10.6%), S (7.08%) |
| Atom Count | 52 |
| PI | 11.41 |
| Smiles | c12c(ccc(c1)OCCCCNCS(=O)(=O)C)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C20H22ClFN4O3S/c1-30(27,28)13-23-8-2-3-9-29-15-5-7-19-16(11-15)20(25-12-24-19)26-14-4-6-18(22)17(
21)10-14/h4-7,10-12,23H,2-3,8-9,13H2,1H3,(H,24,25,26) |
| InChIKey | AWGJFLKTUDKCKI-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 | 14684309 |
| 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 |
44269723
|
| Drug Bank Link | - |
| ChemSpider Link | 23113906 |
| ChEMBL Link | CHEMBL14632 |
