General Information of the Compound
Compound ID
CP0490675
Compound Name
1-[(4-methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
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Formula
C23H19NO2
Molecular Weight
341.41
Canonical SMILES
COc1ccc(cc1)C(c1ccccn1)c1c(O)ccc2ccccc12
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InChI
InChI=1S/C23H19NO2/c1-26-18-12-9-17(10-13-18)22(20-8-4-5-15-24-20)23-19-7-3-2-6-16(19)11-14-21(23)25/h2-15,22,25H,1H3
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InChIKey
WZFQALZRNFYXQT-UHFFFAOYSA-N
Physicochemical Property
logP
5.1292
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
42.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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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ChEMBL ID
CHEMBL4756836
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: PT02265, Aryl hydrocarbon receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 53620 nM
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