General Information of the Compound
Compound ID
CP0519870
Compound Name
N-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
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Structure
Formula
C24H29N3O3S
Molecular Weight
439.581
Canonical SMILES
COc1cccc(c1)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
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InChI
InChI=1S/C24H29N3O3S/c1-30-23-9-4-8-22(19-23)27-16-14-26(15-17-27)13-5-12-25-31(28,29)24-11-10-20-6-2-3-7-21(20)18-24/h2-4,6-11,18-19,25H,5,12-17H2,1H3
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InChIKey
XRIMEJDISIBNJT-UHFFFAOYSA-N
Physicochemical Property
logP
3.339
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
61.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 42635570
SID: 81074621
ChEMBL ID
CHEMBL493416
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 = 223 nM
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