General Property |
Molceule ID (DB) | EGIN0002678 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 7j compound |
IUPAC Name | 4-N-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine |
Formula | C14H10F3N5 |
Mass | 305.2579 |
Exact Mass | 305.08883 |
Composition | C (55.08%), H (3.3%), F (18.67%), N (22.94%) |
Atom Count | 32 |
PI | 10.27 |
Smiles | c1(c2c(cc(nc2)N)ncn1)Nc1ccc(C(F)(F)F)cc1 |
InChI | 1S/C14H10F3N5/c15-14(16,17)8-1-3-9(4-2-8)22-13-10-6-19-12(18)5-11(10)20-7-21-13/h1-7H,(H2,18,19)(H,2
0,21,22) |
InChIKey | NDNQFBSGWVDUBN-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 |
5328059
|
Drug Bank Link | - |
ChemSpider Link | 4485226 |
ChEMBL Link | CHEMBL339684 |