General Information of the Compound
Compound ID
CP0543734
Compound Name
N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-4-ethylbenzamide
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Structure
Formula
C28H33N3O4S
Molecular Weight
507.656
Canonical SMILES
CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccc(CC)cc2)c2ccccc12
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InChI
InChI=1S/C28H33N3O4S/c1-3-7-27(32)31-18-16-22(17-19-31)30-36(34,35)26-15-14-25(23-8-5-6-9-24(23)26)29-28(33)21-12-10-20(4-2)11-13-21/h5-6,8-15,22,30H,3-4,7,16-19H2,1-2H3,(H,29,33)
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InChIKey
CWZVZOMPFAPIDY-UHFFFAOYSA-N
Physicochemical Property
logP
4.7239
Rotatable Bonds
8
Heavy Atom Count
36
Polar Areas
95.58
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
36

"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: 16105860
SID: 24752648
ChEMBL ID
CHEMBL374978
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 = 10.8 nM
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