General Information of the Compound
Compound ID
CP0232831
Compound Name
N-(4-methylpyridin-2-yl)-2-naphthalen-2-ylacetamide
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Structure
Formula
C18H16N2O
Molecular Weight
276.339
Canonical SMILES
Cc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1
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InChI
InChI=1S/C18H16N2O/c1-13-8-9-19-17(10-13)20-18(21)12-14-6-7-15-4-2-3-5-16(15)11-14/h2-11H,12H2,1H3,(H,19,20,21)
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InChIKey
HPQZTEVMVAVGJO-UHFFFAOYSA-N
Physicochemical Property
logP
3.72442
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 25348574
ChEMBL ID
CHEMBL4781866
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 = 14600 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 140 nM