General Information of the Compound
Compound ID
CP0461288
Compound Name
N-(2-naphthalen-1-ylethyl)methanesulfonamide
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Structure
Formula
C13H15NO2S
Molecular Weight
249.335
Canonical SMILES
CS(=O)(=O)NCCc1cccc2ccccc12
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InChI
InChI=1S/C13H15NO2S/c1-17(15,16)14-10-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9-10H2,1H3
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InChIKey
MQGUPLUYVSZGAC-UHFFFAOYSA-N
Physicochemical Property
logP
1.9315
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 37559937
ChEMBL ID
CHEMBL443636
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 = 28.18 nM
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