General Property |
Molceule ID (DB) | EGIN0002698 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 8c compound |
IUPAC Name | 4-N-[(3-nitrophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine |
Formula | C14H12N6O2 |
Mass | 296.2841 |
Exact Mass | 296.1021737 |
Composition | C (56.75%), H (4.08%), N (28.36%), O (10.8%) |
Atom Count | 34 |
PI | 11.61 |
Smiles | [N+](=O)(c1cc(CNc2c3c(cc(nc3)N)ncn2)ccc1)[O-] |
InChI | 1S/C14H12N6O2/c15-13-5-12-11(7-16-13)14(19-8-18-12)17-6-9-2-1-3-10(4-9)20(21)22/h1-5,7-8H,6H2,(H2,15
,16)(H,17,18,19) |
InChIKey | YTGMMGMVMUSNNJ-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 |
5328079
|
Drug Bank Link | - |
ChemSpider Link | 4485246 |
ChEMBL Link | CHEMBL123676 |