General Information of the Compound
Compound ID
CP0483674
Compound Name
1-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
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Formula
C22H17NO2
Molecular Weight
327.383
Canonical SMILES
Oc1ccc(cc1)C(c1ccccn1)c1c(O)ccc2ccccc12
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InChI
InChI=1S/C22H17NO2/c24-17-11-8-16(9-12-17)21(19-7-3-4-14-23-19)22-18-6-2-1-5-15(18)10-13-20(22)25/h1-14,21,24-25H
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InChIKey
SWBWYJKTFNEAMV-UHFFFAOYSA-N
Physicochemical Property
logP
4.8262
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
53.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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
CHEMBL4742377
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 > 50000 nM
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