| General Property |
| Molceule ID (DB) | EGIN0001484 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-{2-[(2-methanesulfonylethyl)amino]-1,3-thiazol-4-yl}quinazolin-4-amine |
| Formula | C27H23ClFN5O3S2 |
| Mass | 584.085 |
| Exact Mass | 583.0914869 |
| Composition | C (55.52%), H (3.97%), Cl (6.07%), F (3.25%), N (11.99%), O (8.22%), S (10.98%) |
| Atom Count | 62 |
| PI | 9.9 |
| Smiles | n1c(csc1NCCS(=O)(=O)C)c1cc2c(ncnc2cc1)Nc1cc(c(OCc2cc(F)ccc2)cc1)Cl |
| InChI | 1S/C27H23ClFN5O3S2/c1-39(35,36)10-9-30-27-34-24(15-38-27)18-5-7-23-21(12-18)26(32-16-31-23)33-20-6-8
-25(22(28)13-20)37-14-17-3-2-4-19(29)11-17/h2-8,11-13,15-16H,9-10,14H2,1H3,(H,30,34)(H,31,32,33) |
| InChIKey | LJOCIHRQARKISZ-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 | 12639547 |
| 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 |
44372004
|
| Drug Bank Link | - |
| ChemSpider Link | 23228652 |
| ChEMBL Link | CHEMBL155761 |
