General Property |
Molceule ID (DB) | EGIN0002173 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP399 |
IUPAC Name | 5-{4-amino-1-[(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenol |
Formula | C21H17FN8O |
Mass | 416.4111 |
Exact Mass | 416.1509354 |
Composition | C (60.57%), H (4.11%), F (4.56%), N (26.91%), O (3.84%) |
Atom Count | 48 |
PI | 7.26 |
Smiles | n1cnc2c(c1N)c(nn2Cc1nn(nc1C)c1ccccc1)c1cc(c(cc1)F)O |
InChI | 1S/C21H17FN8O/c1-12-16(27-30(26-12)14-5-3-2-4-6-14)10-29-21-18(20(23)24-11-25-21)19(28-29)13-7-8-15(
22)17(31)9-13/h2-9,11,31H,10H2,1H3,(H2,23,24,25) |
InChIKey | IYVUNPAVFASLSV-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 | 18849971 |
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 |
24905307
|
Drug Bank Link | - |
ChemSpider Link | 24605151 |
ChEMBL Link | CHEMBL1242845 |