General Property |
Molceule ID (DB) | EGIN0002123 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP141 |
IUPAC Name | 6-{4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-1,2-dihydroquinolin-2-one |
Formula | C19H18N6O |
Mass | 346.3858 |
Exact Mass | 346.1542092 |
Composition | C (65.88%), H (5.24%), N (24.26%), O (4.62%) |
Atom Count | 44 |
PI | 10.08 |
Smiles | n1cnc2c(c1N)c(nn2C1CCCC1)c1cc2c(cc1)[nH]c(=O)cc2 |
InChI | 1S/C19H18N6O/c20-18-16-17(12-5-7-14-11(9-12)6-8-15(26)23-14)24-25(13-3-1-2-4-13)19(16)22-10-21-18/h5
-10,13H,1-4H2,(H,23,26)(H2,20,21,22) |
InChIKey | DSVSJEPFPNNSGX-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 |
24905227
|
Drug Bank Link | - |
ChemSpider Link | 24605232 |
ChEMBL Link | CHEMBL1241864 |