General Information of the Compound
Compound ID
CP0503083
Compound Name
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
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Structure
Formula
C23H26FN3O2S
Molecular Weight
427.545
Canonical SMILES
Fc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
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InChI
InChI=1S/C23H26FN3O2S/c24-22-8-3-4-9-23(22)27-16-14-26(15-17-27)13-5-12-25-30(28,29)21-11-10-19-6-1-2-7-20(19)18-21/h1-4,6-11,18,25H,5,12-17H2
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InChIKey
BWGVOYZSKWZMEK-UHFFFAOYSA-N
Physicochemical Property
logP
3.4695
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
52.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 42388965
ChEMBL ID
CHEMBL494428
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: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 140 nM
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