General Information of the Compound
Compound ID
CP0446380
Compound Name
3-(3-Methoxy-2-naphthyl)pyridine
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Structure
Formula
C16H13NO
Molecular Weight
235.286
Canonical SMILES
COc1cc2ccccc2cc1-c1cccnc1
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InChI
InChI=1S/C16H13NO/c1-18-16-10-13-6-3-2-5-12(13)9-15(16)14-7-4-8-17-11-14/h2-11H,1H3
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InChIKey
BOBLGZTWMWPSBX-UHFFFAOYSA-N
Physicochemical Property
logP
3.9104
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
22.12
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 11543201
SID: 16645329
ChEMBL ID
CHEMBL363626
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: 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 > 500 nM
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