General Information of the Compound
Compound ID
CP0280945
Compound Name
N-(4-methoxypyridin-2-yl)-2-naphthalen-2-ylacetamide
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Structure
Formula
C18H16N2O2
Molecular Weight
292.338
Canonical SMILES
COc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1
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InChI
InChI=1S/C18H16N2O2/c1-22-16-8-9-19-17(12-16)20-18(21)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-10,12H,11H2,1H3,(H,19,20,21)
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InChIKey
LGUXBXKDCLNCEH-UHFFFAOYSA-N
Physicochemical Property
logP
3.4246
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
51.22
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: 146037575
ChEMBL ID
CHEMBL4744511
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: PT01157, Serine/threonine-protein kinase RIO2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 5200 nM
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