General Property |
Molceule ID (DB) | EGIN0001446 |
Inhibitor Class | Pyrrolo-triazine |
Molecule Name in Refrence Article | 4 compound |
IUPAC Name | 6-(2-{[(2-methanesulfonylethyl)amino]methyl}-1,3-thiazol-4-yl)-N-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)quinazolin-4-amine |
Formula | C29H26F3N5O3S2 |
Mass | 613.674 |
Exact Mass | 613.1429157 |
Composition | C (56.76%), H (4.27%), F (9.29%), N (11.41%), O (7.82%), S (10.45%) |
Atom Count | 68 |
PI | 11.57 |
Smiles | n1cnc2c(c1Nc1ccc(cc1)OCc1cccc(c1)C(F)(F)F)cc(cc2)c1nc(sc1)CNCCS(=O)(=O)C |
InChI | 1S/C29H26F3N5O3S2/c1-42(38,39)12-11-33-15-27-37-26(17-41-27)20-5-10-25-24(14-20)28(35-18-34-25)36-22
-6-8-23(9-7-22)40-16-19-3-2-4-21(13-19)29(30,31)32/h2-10,13-14,17-18,33H,11-12,15-16H2,1H3,(H,34,35,
36) |
InChIKey | OOURSYCFPYHWPU-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001446.png) | Structure Backbone | ![](./frame/f_EGIN0001446.png) |
|
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 |
5329478
|
Drug Bank Link | - |
ChemSpider Link | 4486629 |
ChEMBL Link | CHEMBL188304 |