General Information of the Compound
Compound ID
CP0521447
Compound Name
4-(3-morpholin-4-ylpropoxy)benzenesulfonamide
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Structure
Formula
C13H20N2O4S
Molecular Weight
300.38
Canonical SMILES
NS(=O)(=O)c1ccc(OCCCN2CCOCC2)cc1
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InChI
InChI=1S/C13H20N2O4S/c14-20(16,17)13-4-2-12(3-5-13)19-9-1-6-15-7-10-18-11-8-15/h2-5H,1,6-11H2,(H2,14,16,17)
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InChIKey
WZPPGAGAZOALBJ-UHFFFAOYSA-N
Physicochemical Property
logP
0.4351
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
81.86
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 60145491
SID: 143488643
ChEMBL ID
CHEMBL2024380
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 400 nM
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