General Property |
Molceule ID (DB) | EGIN0002182 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP421 |
IUPAC Name | 5-{4-amino-1-[(1R,3S)-3-methylcyclopentyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenol |
Formula | C17H18FN5O |
Mass | 327.3561 |
Exact Mass | 327.1495384 |
Composition | C (62.37%), H (5.54%), F (5.8%), N (21.39%), O (4.89%) |
Atom Count | 42 |
PI | 7.27 |
Smiles | n1cnc2c(c1N)c(nn2[C@@H]1CC[C@@H](C1)C)c1cc(c(cc1)F)O |
InChI | 1S/C17H18FN5O/c1-9-2-4-11(6-9)23-17-14(16(19)20-8-21-17)15(22-23)10-3-5-12(18)13(24)7-10/h3,5,7-9,11
,24H,2,4,6H2,1H3,(H2,19,20,21)/t9-,11+/m0/s1 |
InChIKey | MBPKPSDAPFPECJ-GXSJLCMTSA-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 |
11229727
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Drug Bank Link | - |
ChemSpider Link | 24605143 |
ChEMBL Link | CHEMBL1242656 |