General Information of the Compound
Compound ID
CP0490479
Compound Name
N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]cyclopropanecarboxamide
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Structure
Formula
C23H29N3O4S
Molecular Weight
443.569
Canonical SMILES
CCCC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)C2CC2)c2ccccc12
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InChI
InChI=1S/C23H29N3O4S/c1-2-5-22(27)26-14-12-17(13-15-26)25-31(29,30)21-11-10-20(24-23(28)16-8-9-16)18-6-3-4-7-19(18)21/h3-4,6-7,10-11,16-17,25H,2,5,8-9,12-15H2,1H3,(H,24,28)
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InChIKey
RDDQQXWHCVOCBG-UHFFFAOYSA-N
Physicochemical Property
logP
3.2577
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
95.58
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: 16105867
SID: 24752655
ChEMBL ID
CHEMBL376071
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 = 367.7 nM
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