| General Property |
| Molceule ID (DB) | EGIN0002704 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 8i compound |
| IUPAC Name | 4-N-{[3-(trifluoromethyl)phenyl]methyl}pyrido[4,3-d]pyrimidine-4,7-diamine |
| Formula | C15H12F3N5 |
| Mass | 319.2845 |
| Exact Mass | 319.10448 |
| Composition | C (56.43%), H (3.79%), F (17.85%), N (21.93%) |
| Atom Count | 35 |
| PI | 11.62 |
| Smiles | c12c(ncnc1cc(nc2)N)NCc1cc(C(F)(F)F)ccc1 |
| InChI | 1S/C15H12F3N5/c16-15(17,18)10-3-1-2-9(4-10)6-21-14-11-7-20-13(19)5-12(11)22-8-23-14/h1-5,7-8H,6H2,(H
2,19,20)(H,21,22,23) |
| InChIKey | TZORILTWIYQZJR-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 | 7562908 |
| 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 |
5328085
|
| Drug Bank Link | - |
| ChemSpider Link | 4485252 |
| ChEMBL Link | CHEMBL124533 |
