General Information of the Compound
Compound ID
CP0522287
Compound Name
4-(Benzyloxy)-1-(4-{[1-(dimethylamino)propan-2-yl]-oxy}phenyl)pyridin-2(1H)-one
    Show/Hide
Structure
Formula
C23H26N2O3
Molecular Weight
378.472
Canonical SMILES
CC(CN(C)C)Oc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
    Show/Hide
InChI
InChI=1S/C23H26N2O3/c1-18(16-24(2)3)28-21-11-9-20(10-12-21)25-14-13-22(15-23(25)26)27-17-19-7-5-4-6-8-19/h4-15,18H,16-17H2,1-3H3
    Show/Hide
InChIKey
QSOJLEDJFIANLS-UHFFFAOYSA-N
Physicochemical Property
logP
3.7454
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
43.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"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
CID: 53325165
ChEMBL ID
CHEMBL1642488
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
Protein ID: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 51 nM
   TI
   LI
   LO
   TS