General Information of the Compound
| Compound ID |
CP0502758
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-fluorobenzyloxy)-1-(4-(pyrrolidin-1-ylmethyl)phenethyl)pyridin-2(1H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27FN2O2
|
||||||||||||||||||
| Molecular Weight |
406.501
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(COc2ccn(CCc3ccc(CN4CCCC4)cc3)c(=O)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27FN2O2/c26-23-9-7-22(8-10-23)19-30-24-12-16-28(25(29)17-24)15-11-20-3-5-21(6-4-20)18-27-13-1-2-14-27/h3-10,12,16-17H,1-2,11,13-15,18-19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NJUDJIHEJBJEHC-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