General Property |
Molceule ID (DB) | EGIN0001491 |
Inhibitor Class | Purine |
Molecule Name in Refrence Article | 7 compound |
IUPAC Name | 2-(6-methoxy-9H-purin-9-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 | 9.26 |
Smiles | c1(ncnc2c1ncn2CC(=O)c1ccccc1)OC |
InChI | 1S/C14H12N4O2/c1-20-14-12-13(15-8-16-14)18(9-17-12)7-11(19)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3 |
InChIKey | XWDNJJKBPCAOOK-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | VERFR2 | VERFR3 | ALL |
Pub Chem Link |
42604010
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Drug Bank Link | - |
ChemSpider Link | 24717514 |
ChEMBL Link | CHEMBL519976 |