General Information of the Compound
Compound ID
CP0557857
Compound Name
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine
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Structure
Formula
C19H24N2O4S
Molecular Weight
376.478
Canonical SMILES
COc1ccc(NC2CCN(CC2)S(=O)(=O)c2ccc(OC)cc2)cc1
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InChI
InChI=1S/C19H24N2O4S/c1-24-17-5-3-15(4-6-17)20-16-11-13-21(14-12-16)26(22,23)19-9-7-18(25-2)8-10-19/h3-10,16,20H,11-14H2,1-2H3
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InChIKey
IGNIFYDVEPNYFP-UHFFFAOYSA-N
Physicochemical Property
logP
2.969
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
67.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 3993140
ChEMBL ID
CHEMBL4248984
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: PT03815, C-C chemokine receptor type 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 30000 nM
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