General Information of the Compound
Compound ID
CP0505231
Compound Name
N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]benzamide
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Structure
Formula
C24H20N2O4S
Molecular Weight
432.501
Canonical SMILES
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c3ccccc23)cc1
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InChI
InChI=1S/C24H20N2O4S/c1-30-19-13-11-18(12-14-19)26-31(28,29)23-16-15-22(20-9-5-6-10-21(20)23)25-24(27)17-7-3-2-4-8-17/h2-16,26H,1H3,(H,25,27)
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InChIKey
WRPLZERXEQKXIY-UHFFFAOYSA-N
Physicochemical Property
logP
4.9015
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 3384970
SID: 24752622
ChEMBL ID
CHEMBL412116
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: PT03816, C-C chemokine receptor type 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000076 CHO/Galpha16 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 150 nM
   TI
   LI
   LO
   TS
CL000233 L1.2 Mus musculus (Mouse)  1
1
Ki = 42.6 nM
   TI
   LI
   LO
   TS