General Property |
Molceule ID (DB) | EGIN0002670 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 7b compound |
IUPAC Name | 4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine |
Formula | C13H10N6O2 |
Mass | 282.2575 |
Exact Mass | 282.0865236 |
Composition | C (55.32%), H (3.57%), N (29.77%), O (11.34%) |
Atom Count | 31 |
PI | 8.38 |
Smiles | [N+](=O)(c1c(Nc2c3c(cc(nc3)N)ncn2)cccc1)[O-] |
InChI | 1S/C13H10N6O2/c14-12-5-10-8(6-15-12)13(17-7-16-10)18-9-3-1-2-4-11(9)19(20)21/h1-7H,(H2,14,15)(H,16,1
7,18) |
InChIKey | FPEUMZRLYARFMA-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 |
5328052
|
Drug Bank Link | - |
ChemSpider Link | 4485219 |
ChEMBL Link | CHEMBL338662 |