General Property |
Molceule ID (DB) | EGIN0002404 |
Inhibitor Class | Quinoline |
Molecule Name in Refrence Article | OSI-906 |
IUPAC Name | (1s,3r)-3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol |
Formula | C26H23N5O |
Mass | 421.4937 |
Exact Mass | 421.1902604 |
Composition | C (74.09%), H (5.5%), N (16.62%), O (3.8%) |
Atom Count | 55 |
PI | 10.62 |
Smiles | n1ccn2c(c1N)c(nc2[C@@H]1C[C@@](C1)(O)C)c1cc2c(cc1)ccc(n2)c1ccccc1 |
InChI | 1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-
18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+ |
InChIKey | PKCDDUHJAFVJJB-VLZXCDOPSA-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 | 20346655 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | 21391708 |
ChEMBL Link | CHEMBL1091644 |