General Information of the Compound
Compound ID
CP0430662
Compound Name
4-(4-piperidin-1-ylbutoxy)benzenesulfonamide
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Structure
Formula
C15H24N2O3S
Molecular Weight
312.435
Canonical SMILES
NS(=O)(=O)c1ccc(OCCCCN2CCCCC2)cc1
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InChI
InChI=1S/C15H24N2O3S/c16-21(18,19)15-8-6-14(7-9-15)20-13-5-4-12-17-10-2-1-3-11-17/h6-9H,1-5,10-13H2,(H2,16,18,19)
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InChIKey
ULOYRTLPVVJEDL-UHFFFAOYSA-N
Physicochemical Property
logP
1.9789
Rotatable Bonds
7
Heavy Atom Count
21
Polar Areas
72.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 60145493
SID: 143488645
ChEMBL ID
CHEMBL2024382
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 = 390 nM
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   LI
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   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 13600 nM
   TI
   LI
   LO
   TS