General Information of the Compound
Compound ID
CP0911382
Compound Name
N-[4-Methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-benzenesulfonamide
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Structure
Formula
C18H23N3O3S
Molecular Weight
361.467
Canonical SMILES
COc1ccc(NS(=O)(=O)c2ccccc2)cc1N1CCN(C)CC1
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InChI
InChI=1S/C18H23N3O3S/c1-20-10-12-21(13-11-20)17-14-15(8-9-18(17)24-2)19-25(22,23)16-6-4-3-5-7-16/h3-9,14,19H,10-13H2,1-2H3
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InChIKey
UWMHQNBQRWMRIX-UHFFFAOYSA-N
Physicochemical Property
logP
2.2478
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
61.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 10498813
SID: 15523757
ChEMBL ID
CHEMBL60669
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 10 nM
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