General Information of the Compound
Compound ID
CP0474084
Compound Name
5-(6-Methoxynaphthalen-2-yl)pyridine-3-carboxamide
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Structure
Formula
C17H14N2O2
Molecular Weight
278.311
Canonical SMILES
COc1ccc2cc(ccc2c1)-c1cncc(c1)C(N)=O
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InChI
InChI=1S/C17H14N2O2/c1-21-16-5-4-11-6-12(2-3-13(11)8-16)14-7-15(17(18)20)10-19-9-14/h2-10H,1H3,(H2,18,20)
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InChIKey
BMVGAMJQIUZPTQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.0093
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
65.21
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 25034489
SID: 56385310
ChEMBL ID
CHEMBL502823
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 = 41557 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 = 94 nM
   TI
   LI
   LO
   TS