General Information of the Compound
Compound ID
CP0425663
Compound Name
4-(Benzyloxy)-1-{4-[2-(morpholin-4-yl)ethoxy]phenyl}-pyridin-2(1H)-one
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Structure
Formula
C24H26N2O4
Molecular Weight
406.482
Canonical SMILES
O=c1cc(OCc2ccccc2)ccn1-c1ccc(OCCN2CCOCC2)cc1
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InChI
InChI=1S/C24H26N2O4/c27-24-18-23(30-19-20-4-2-1-3-5-20)10-11-26(24)21-6-8-22(9-7-21)29-17-14-25-12-15-28-16-13-25/h1-11,18H,12-17,19H2
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InChIKey
QOTOHHRBFZRQIF-UHFFFAOYSA-N
Physicochemical Property
logP
3.1275
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
52.93
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
30

"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).

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PubChem ID
CID: 53318801
ChEMBL ID
CHEMBL1642468
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)  2
1
IC50 = 24 nM
   TI
   LI
   LO
   TS
2
IC50 = 34 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10 nM
   TI
   LI
   LO
   TS