General Information of the Compound
| Compound ID |
CP0456998
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methyl-4-[(4-propan-2-ylphenyl)methoxy]-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23N7O2
|
||||||||||||||||||
| Molecular Weight |
417.473
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(COC2CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23N7O2/c1-12(2)15-6-4-14(5-7-15)9-31-16-8-17(30)27-21-18(16)13(3)28-29(21)22-19-20(24-10-23-19)25-11-26-22/h4-7,10-12,16H,8-9H2,1-3H3,(H,27,30)(H,23,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KEWPZLQQPUGOCD-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound