General Property |
Molceule ID (DB) | EGIN0003118 |
Inhibitor Class | Purine |
Molecule Name in Refrence Article | 8a compound |
IUPAC Name | N,8-diphenyl-9H-purin-6-amine |
Formula | C17H13N5 |
Mass | 287.3186 |
Exact Mass | 287.1170954 |
Composition | C (71.06%), H (4.56%), N (24.37%) |
Atom Count | 35 |
PI | 6.82 |
Smiles | c1(ncnc2c1nc([nH]2)c1ccccc1)Nc1ccccc1 |
InChI | 1S/C17H13N5/c1-3-7-12(8-4-1)15-21-14-16(18-11-19-17(14)22-15)20-13-9-5-2-6-10-13/h1-11H,(H2,18,19,20
,21,22) |
InChIKey | OKZNIBWRMMFNQY-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 | 20472330 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | CDK5/p25 | CK1a1 | CK2a | EGFR | ERK1 | GSK-3b | IGF1R | JNK1 | MAPKAPK2 | TYRO3/SKY | ALL |
Pub Chem Link |
46894037
|
Drug Bank Link | - |
ChemSpider Link | 25068558 |
ChEMBL Link | CHEMBL1210175 |