| General Property |
| Molceule ID (DB) | EGIN0002095 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP94 |
| IUPAC Name | 1-cyclopentyl-3-(1H-indol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C18H18N6 |
| Mass | 318.3757 |
| Exact Mass | 318.1592946 |
| Composition | C (67.9%), H (5.7%), N (26.4%) |
| Atom Count | 42 |
| PI | 11.27 |
| Smiles | n1cnc2c(c1N)c(nn2C1CCCC1)c1cc2c(cc1)[nH]cc2 |
| InChI | 1S/C18H18N6/c19-17-15-16(12-5-6-14-11(9-12)7-8-20-14)23-24(13-3-1-2-4-13)18(15)22-10-21-17/h5-10,13,
20H,1-4H2,(H2,19,21,22) |
| InChIKey | MRCFTWAYZAHAFA-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 |
24905193
|
| Drug Bank Link | - |
| ChemSpider Link | 24605267 |
| ChEMBL Link | CHEMBL1242295 |
