General Information of the Compound
Compound ID
CP0415088
Compound Name
3-Methoxy-5-[3-(4-methoxybenzyl)naphthalen-2-yl]pyridine
    Show/Hide
Structure
Formula
C24H21NO2
Molecular Weight
355.437
Canonical SMILES
COc1ccc(Cc2cc3ccccc3cc2-c2cncc(OC)c2)cc1
    Show/Hide
InChI
InChI=1S/C24H21NO2/c1-26-22-9-7-17(8-10-22)11-20-12-18-5-3-4-6-19(18)14-24(20)21-13-23(27-2)16-25-15-21/h3-10,12-16H,11H2,1-2H3
    Show/Hide
InChIKey
QUWZZCOGVFPHNJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.5098
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
31.35
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 25130854
SID: 56455921
ChEMBL ID
CHEMBL446775
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: PT03119, Cytochrome P450 11B1, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1811 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 7.7 nM
   TI
   LI
   LO
   TS