General Property |
Molceule ID (DB) | EGIN0002192 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP463 |
IUPAC Name | 5-{4-amino-1-cyclobutyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-chlorophenol |
Formula | C15H14ClN5O |
Mass | 315.758 |
Exact Mass | 315.0886878 |
Composition | C (57.06%), H (4.47%), Cl (11.23%), N (22.18%), O (5.07%) |
Atom Count | 36 |
PI | 7.03 |
Smiles | n1cnc2c(c1N)c(nn2C1CCC1)c1cc(c(cc1)Cl)O |
InChI | 1S/C15H14ClN5O/c16-10-5-4-8(6-11(10)22)13-12-14(17)18-7-19-15(12)21(20-13)9-2-1-3-9/h4-7,9,22H,1-3H2
,(H2,17,18,19) |
InChIKey | VEORWCZDRQSGJH-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 |
24905326
|
Drug Bank Link | - |
ChemSpider Link | 24605132 |
ChEMBL Link | CHEMBL1241580 |