General Information of the Compound
| Compound ID |
CP0466161
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-cyclopentyl-2-(6-methylpyridin-3-yl)oxy-1-propyl-7H-purin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23N5O2
|
||||||||||||||||||
| Molecular Weight |
353.426
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c(Oc2ccc(C)nc2)nc2nc([nH]c2c1=O)C1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23N5O2/c1-3-10-24-18(25)15-17(22-16(21-15)13-6-4-5-7-13)23-19(24)26-14-9-8-12(2)20-11-14/h8-9,11,13H,3-7,10H2,1-2H3,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OHTCVHZAHHDFRB-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