General Information of the Compound
Compound ID
CP0496232
Compound Name
N,3,4-trimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
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Structure
Formula
C15H24N2O2S
Molecular Weight
296.436
Canonical SMILES
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C)c(C)c1
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InChI
InChI=1S/C15H24N2O2S/c1-12-5-6-15(11-13(12)2)20(18,19)17(4)14-7-9-16(3)10-8-14/h5-6,11,14H,7-10H2,1-4H3
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InChIKey
XEYHORKOPPWQLD-UHFFFAOYSA-N
Physicochemical Property
logP
2.01814
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
40.62
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 57396884
ChEMBL ID
CHEMBL1933572
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 = 5980 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 = 1940 nM
   TI
   LI
   LO
   TS