General Information of the Compound
Compound ID
CP0402725
Compound Name
N-[4-[methyl(phenyl)sulfamoyl]naphthalen-1-yl]benzamide
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Structure
Formula
C24H20N2O3S
Molecular Weight
416.502
Canonical SMILES
CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)c2ccccc12
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InChI
InChI=1S/C24H20N2O3S/c1-26(19-12-6-3-7-13-19)30(28,29)23-17-16-22(20-14-8-9-15-21(20)23)25-24(27)18-10-4-2-5-11-18/h2-17H,1H3,(H,25,27)
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InChIKey
CVBPCHAWPDLWBY-UHFFFAOYSA-N
Physicochemical Property
logP
4.9172
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 16105759
SID: 24752559
ChEMBL ID
CHEMBL218502
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
CL000233 L1.2 Mus musculus (Mouse)  1
1
Ki > 44000 nM
   TI
   LI
   LO
   TS