General Information of the Compound
Compound ID
CP0543726
Compound Name
N-[4-(cyclohexylsulfamoyl)naphthalen-1-yl]benzamide
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Structure
Formula
C23H24N2O3S
Molecular Weight
408.523
Canonical SMILES
O=C(Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCCCC1)c1ccccc1
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InChI
InChI=1S/C23H24N2O3S/c26-23(17-9-3-1-4-10-17)24-21-15-16-22(20-14-8-7-13-19(20)21)29(27,28)25-18-11-5-2-6-12-18/h1,3-4,7-10,13-16,18,25H,2,5-6,11-12H2,(H,24,26)
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InChIKey
KLDPHAYIIULOBY-UHFFFAOYSA-N
Physicochemical Property
logP
4.7031
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 11452569
SID: 16551615
ChEMBL ID
CHEMBL218503
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 = 4.4 nM
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