General Property |
Molceule ID (DB) | EGIN0001488 |
Inhibitor Class | Purine |
Molecule Name in Refrence Article | 4 compound |
IUPAC Name | 2-(6-amino-8,9-dihydro-7H-purin-7-yl)-1-phenylethan-1-one |
Formula | C13H13N5O |
Mass | 255.2752 |
Exact Mass | 255.1120101 |
Composition | C (61.17%), H (5.13%), N (27.43%), O (6.27%) |
Atom Count | 32 |
PI | 11.08 |
Smiles | c12c(ncnc1N)NCN2CC(=O)c1ccccc1 |
InChI | 1S/C13H13N5O/c14-12-11-13(16-7-15-12)17-8-18(11)6-10(19)9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H3,14,15,16,17) |
InChIKey | MILMSXFIIAYAJG-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 | 18524423 |
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 |
-
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |