General Information of the Compound
Compound ID
CP0962649
Compound Name
4-methyl-6-((naphthalen-2-yloxy)methyl)picolinic acid
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Structure
Formula
C18H15NO3
Molecular Weight
293.322
Canonical SMILES
Cc1cc(COc2ccc3ccccc3c2)nc(C(=O)O)c1
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InChI
InChI=1S/C18H15NO3/c1-12-8-15(19-17(9-12)18(20)21)11-22-16-7-6-13-4-2-3-5-14(13)10-16/h2-10H,11H2,1H3,(H,20,21)
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InChIKey
OAGOSWGQLAOVCV-UHFFFAOYSA-N
Physicochemical Property
logP
3.82042
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
59.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 155146122
ChEMBL ID
CHEMBL4850821
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: PT06353, Mas-related G-protein coupled receptor member X4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 < 100 nM
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