General Information of the Compound
Compound ID
CP0161481
Compound Name
N-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]furan-2-carboxamide
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Structure
Formula
C18H18N2O4S
Molecular Weight
358.419
Canonical SMILES
CNS(=O)(=O)c1ccc2cccc(CCNC(=O)c3ccco3)c2c1
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InChI
InChI=1S/C18H18N2O4S/c1-19-25(22,23)15-8-7-13-4-2-5-14(16(13)12-15)9-10-20-18(21)17-6-3-11-24-17/h2-8,11-12,19H,9-10H2,1H3,(H,20,21)
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InChIKey
ZMQJWTSYMGTHFB-UHFFFAOYSA-N
Physicochemical Property
logP
2.3134
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
88.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 18175032
SID: 123105044
ChEMBL ID
CHEMBL457992
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 = 9.12 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9.1 nM