| General Property |
| Molceule ID (DB) | EGIN0001448 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(2-{[(2-methanesulfonylethyl)amino]methyl}-1,3-thiazol-4-yl)quinazolin-4-amine |
| Formula | C28H25ClFN5O3S2 |
| Mass | 598.111 |
| Exact Mass | 597.107137 |
| Composition | C (56.23%), H (4.21%), Cl (5.93%), F (3.18%), N (11.71%), O (8.02%), S (10.72%) |
| Atom Count | 65 |
| PI | 11.39 |
| Smiles | n1cnc2c(c1Nc1cc(c(cc1)OCc1cccc(c1)F)Cl)cc(cc2)c1nc(sc1)CNCCS(=O)(=O)C |
| InChI | 1S/C28H25ClFN5O3S2/c1-40(36,37)10-9-31-14-27-35-25(16-39-27)19-5-7-24-22(12-19)28(33-17-32-24)34-21-
6-8-26(23(29)13-21)38-15-18-3-2-4-20(30)11-18/h2-8,11-13,16-17,31H,9-10,14-15H2,1H3,(H,32,33,34) |
| InChIKey | MNNXRVSQOABRRP-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 | 17270437 |
| 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 |
5329480
|
| Drug Bank Link | - |
| ChemSpider Link | 4486631 |
| ChEMBL Link | CHEMBL247101 |
