| General Property |
| Molceule ID (DB) | EGIN0001447 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 5 compound |
| IUPAC Name | N-[4-(benzyloxy)-3-chlorophenyl]-6-(2-{[(2-methanesulfonylethyl)amino]methyl}-1,3-thiazol-4-yl)quinazolin-4-amine |
| Formula | C28H26ClN5O3S2 |
| Mass | 580.121 |
| Exact Mass | 579.1165588 |
| Composition | C (57.97%), H (4.52%), Cl (6.11%), N (12.07%), O (8.27%), S (11.05%) |
| Atom Count | 65 |
| PI | 11.39 |
| Smiles | n1cnc2c(c1Nc1cc(c(cc1)OCc1ccccc1)Cl)cc(cc2)c1nc(sc1)CNCCS(=O)(=O)C |
| InChI | 1S/C28H26ClN5O3S2/c1-39(35,36)12-11-30-15-27-34-25(17-38-27)20-7-9-24-22(13-20)28(32-18-31-24)33-21-
8-10-26(23(29)14-21)37-16-19-5-3-2-4-6-19/h2-10,13-14,17-18,30H,11-12,15-16H2,1H3,(H,31,32,33) |
| InChIKey | AXVKGZLOECWENV-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 |
5329479
|
| Drug Bank Link | - |
| ChemSpider Link | 4486630 |
| ChEMBL Link | CHEMBL247100 |
