General Information of the Compound
Compound ID
CP0160422
Compound Name
3-[6-Methoxy-3-(4-methoxybenzyl)naphthalen-2-yl]pyridine
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Structure
Formula
C24H21NO2
Molecular Weight
355.437
Canonical SMILES
COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cccnc2)cc1
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InChI
InChI=1S/C24H21NO2/c1-26-22-8-5-17(6-9-22)12-21-13-20-14-23(27-2)10-7-18(20)15-24(21)19-4-3-11-25-16-19/h3-11,13-16H,12H2,1-2H3
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InChIKey
VQUARJCMNGAQJX-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).

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PubChem ID
CID: 24896569
SID: 53780895
ChEMBL ID
CHEMBL494713
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 = 4329 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 = 11 nM
   TI
   LI
   LO
   TS