General Information of the Compound
Compound ID
CP0383123
Compound Name
N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
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Structure
Formula
C19H23ClN2O3S
Molecular Weight
394.924
Canonical SMILES
Clc1ccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)cc1
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InChI
InChI=1S/C19H23ClN2O3S/c20-16-6-8-18(9-7-16)25-15-14-22-12-10-17(11-13-22)21-26(23,24)19-4-2-1-3-5-19/h1-9,17,21H,10-15H2
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InChIKey
YIRODGTVJUCSQV-UHFFFAOYSA-N
Physicochemical Property
logP
3.1617
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
58.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 18133518
ChEMBL ID
CHEMBL4217334
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 38290 nM
   TI
   LI
   LO
   TS
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2544 nM
   TI
   LI
   LO
   TS