General Information of the Compound
Compound ID
CP0537976
Compound Name
[5-(6-methoxynaphthalen-2-yl)pyridin-3-yl]methanol
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Structure
Formula
C17H15NO2
Molecular Weight
265.312
Canonical SMILES
COc1ccc2cc(ccc2c1)-c1cncc(CO)c1
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InChI
InChI=1S/C17H15NO2/c1-20-17-5-4-13-7-14(2-3-15(13)8-17)16-6-12(11-19)9-18-10-16/h2-10,19H,11H2,1H3
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InChIKey
HRTIJRQPYNGOGB-UHFFFAOYSA-N
Physicochemical Property
logP
3.4027
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
42.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 25034350
SID: 56385157
ChEMBL ID
CHEMBL448064
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 = 614 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 = 9.1 nM
   TI
   LI
   LO
   TS