General Property |
Molceule ID (DB) | EGIN0002133 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP152 |
IUPAC Name | 4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorobenzaldehyde |
Formula | C15H14FN5O |
Mass | 299.303 |
Exact Mass | 299.1182383 |
Composition | C (60.19%), H (4.71%), F (6.35%), N (23.4%), O (5.35%) |
Atom Count | 36 |
PI | 13.13 |
Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc(c(cc1)C=O)F |
InChI | 1S/C15H14FN5O/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)9-3-4-10(6-22)11(16)5-9/h3-8H,1-2H3,(H2,17,1
8,19) |
InChIKey | CMUZPNXYCOKJJJ-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 |
24905238
|
Drug Bank Link | - |
ChemSpider Link | 24605221 |
ChEMBL Link | CHEMBL1241860 |