General Property |
Molceule ID (DB) | EGIN0002224 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP90 |
IUPAC Name | 1-cyclopentyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C18H21N5O2 |
Mass | 339.3916 |
Exact Mass | 339.1695249 |
Composition | C (63.7%), H (6.24%), N (20.64%), O (9.43%) |
Atom Count | 46 |
PI | 13.13 |
Smiles | n1cnc2c(c1N)c(nn2C1CCCC1)c1cc(c(cc1)OC)OC |
InChI | 1S/C18H21N5O2/c1-24-13-8-7-11(9-14(13)25-2)16-15-17(19)20-10-21-18(15)23(22-16)12-5-3-4-6-12/h7-10,1
2H,3-6H2,1-2H3,(H2,19,20,21) |
InChIKey | ULLIAFSPUSWCIL-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002224.png) | Structure Backbone | ![](./frame/f_EGIN0002224.png) |
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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 |
24905189
|
Drug Bank Link | - |
ChemSpider Link | 24605271 |
ChEMBL Link | CHEMBL1240553 |