General Information of the Compound
Compound ID
CP0524360
Compound Name
8-(acetamidomethyl)-N-methylnaphthalene-2-carboxamide
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Structure
Formula
C15H16N2O2
Molecular Weight
256.305
Canonical SMILES
CNC(=O)c1ccc2cccc(CNC(C)=O)c2c1
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InChI
InChI=1S/C15H16N2O2/c1-10(18)17-9-13-5-3-4-11-6-7-12(8-14(11)13)15(19)16-2/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18)
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InChIKey
BVJYQVGHGVXKCI-UHFFFAOYSA-N
Physicochemical Property
logP
1.8355
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 44581570
ChEMBL ID
CHEMBL455339
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: PT02130, Ribosyldihydronicotinamide dehydrogenase [quinone]
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 12.02 nM
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