General Property |
Molceule ID (DB) | EGIN0001492 |
Inhibitor Class | Purine |
Molecule Name in Refrence Article | 8 compound |
IUPAC Name | 2-(6-methoxy-7H-purin-7-yl)-1-phenylethan-1-one |
Formula | C14H12N4O2 |
Mass | 268.2707 |
Exact Mass | 268.0960256 |
Composition | C (62.68%), H (4.51%), N (20.88%), O (11.93%) |
Atom Count | 32 |
PI | 9.76 |
Smiles | c1(ncnc2c1n(cn2)CC(=O)c1ccccc1)OC |
InChI | 1S/C14H12N4O2/c1-20-14-12-13(15-8-16-14)17-9-18(12)7-11(19)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3 |
InChIKey | IHLPTXDMQKIQEY-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 |
44583170
|
Drug Bank Link | - |
ChemSpider Link | 24700355 |
ChEMBL Link | CHEMBL483271 |