General Information of the Compound
Compound ID
CP0540169
Compound Name
5-[(7-methoxynaphthalen-1-yl)methyl]imidazole-2,4-dione
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Structure
Formula
C15H12N2O3
Molecular Weight
268.272
Canonical SMILES
COc1ccc2cccc(CC3=NC(=O)NC3=O)c2c1
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InChI
InChI=1S/C15H12N2O3/c1-20-11-6-5-9-3-2-4-10(12(9)8-11)7-13-14(18)17-15(19)16-13/h2-6,8H,7H2,1H3,(H,17,18,19)
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InChIKey
PLQPYUHDARVGQP-UHFFFAOYSA-N
Physicochemical Property
logP
2.0817
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
67.76
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 44581531
ChEMBL ID
CHEMBL457533
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 = 61.66 nM
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