General Property |
Molceule ID (DB) | EGIN0001994 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | 16a compound |
IUPAC Name | N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-[3-(morpholin-4-yl)propoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C24H26ClN7O3 |
Mass | 495.961 |
Exact Mass | 495.1785654 |
Composition | C (58.12%), H (5.28%), Cl (7.15%), N (19.77%), O (9.68%) |
Atom Count | 61 |
PI | 9.24 |
Smiles | n1cnc(c2c1[nH]nc2OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)OCc1ncccc1 |
InChI | 1S/C24H26ClN7O3/c25-19-14-17(5-6-20(19)35-15-18-4-1-2-7-26-18)29-22-21-23(28-16-27-22)30-31-24(21)34
-11-3-8-32-9-12-33-13-10-32/h1-2,4-7,14,16H,3,8-13,15H2,(H2,27,28,29,30,31) |
InChIKey | HYWZCMMMRGRRRF-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 | 18182285 |
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 |
11663284
|
Drug Bank Link | - |
ChemSpider Link | 9838019 |
ChEMBL Link | CHEMBL257859 |