General Property |
Molceule ID (DB) | EGIN0002222 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP88 |
IUPAC Name | tert-butyl 5-{4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-1H-indole-1-carboxylate |
Formula | C23H26N6O2 |
Mass | 418.4915 |
Exact Mass | 418.2117241 |
Composition | C (66.01%), H (6.26%), N (20.08%), O (7.65%) |
Atom Count | 57 |
PI | 13.13 |
Smiles | n1cnc2c(c1N)c(nn2C1CCCC1)c1cc2c(cc1)n(cc2)C(=O)OC(C)(C)C |
InChI | 1S/C23H26N6O2/c1-23(2,3)31-22(30)28-11-10-14-12-15(8-9-17(14)28)19-18-20(24)25-13-26-21(18)29(27-19)
16-6-4-5-7-16/h8-13,16H,4-7H2,1-3H3,(H2,24,25,26) |
InChIKey | FASPJDRKOSUHHS-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 |
24905187
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Drug Bank Link | - |
ChemSpider Link | 24605273 |
ChEMBL Link | CHEMBL1242853 |