General Property |
Molceule ID (DB) | EGIN0001995 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | 16b compound |
IUPAC Name | 1-{3-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]propyl}piperidin-4-ol |
Formula | C25H28ClN7O3 |
Mass | 509.988 |
Exact Mass | 509.1942155 |
Composition | C (58.88%), H (5.53%), Cl (6.95%), N (19.23%), O (9.41%) |
Atom Count | 64 |
PI | 8.37 |
Smiles | n1cnc(c2c1[nH]nc2OCCCN1CC[C@H](CC1)O)Nc1ccc(c(c1)Cl)OCc1ncccc1 |
InChI | 1S/C25H28ClN7O3/c26-20-14-17(5-6-21(20)36-15-18-4-1-2-9-27-18)30-23-22-24(29-16-28-23)31-32-25(22)35
-13-3-10-33-11-7-19(34)8-12-33/h1-2,4-6,9,14,16,19,34H,3,7-8,10-13,15H2,(H2,28,29,30,31,32) |
InChIKey | YJELZTGEMAQGHU-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 |
11547991
|
Drug Bank Link | - |
ChemSpider Link | 9722770 |
ChEMBL Link | CHEMBL257860 |