General Information of the Compound
Compound ID
CP0510686
Compound Name
N-[4-[4-(4-fluorophenyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide
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Structure
Formula
C24H28FN3O2S
Molecular Weight
441.572
Canonical SMILES
CC(CCN1CCN(CC1)c1ccc(F)cc1)NS(=O)(=O)c1ccc2ccccc2c1
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InChI
InChI=1S/C24H28FN3O2S/c1-19(26-31(29,30)24-11-6-20-4-2-3-5-21(20)18-24)12-13-27-14-16-28(17-15-27)23-9-7-22(25)8-10-23/h2-11,18-19,26H,12-17H2,1H3
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InChIKey
QSBMDWLJXJISML-UHFFFAOYSA-N
Physicochemical Property
logP
3.858
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
52.65
Hydrogen Bond Donor Count
1
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: 46233014
ChEMBL ID
CHEMBL602279
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 6.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 90 nM
   TI
   LI
   LO
   TS
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 = 526 nM
   TI
   LI
   LO
   TS