General Information of the Compound
Compound ID
CP0384524
Compound Name
(4-Methoxyphenyl)(3-pyridin-3-yl-naphthalen-2-yl)methanone
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Structure
Formula
C23H17NO2
Molecular Weight
339.394
Canonical SMILES
COc1ccc(cc1)C(=O)c1cc2ccccc2cc1-c1cccnc1
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InChI
InChI=1S/C23H17NO2/c1-26-20-10-8-16(9-11-20)23(25)22-14-18-6-3-2-5-17(18)13-21(22)19-7-4-12-24-15-19/h2-15H,1H3
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InChIKey
WWWMWNQAHZDEPH-UHFFFAOYSA-N
Physicochemical Property
logP
5.1414
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
39.19
Hydrogen Bond Donor Count
0
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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PubChem ID
CID: 25129462
SID: 56453797
ChEMBL ID
CHEMBL494515
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 = 24003 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 = 119 nM
   TI
   LI
   LO
   TS