General Information of the Compound
Compound ID
CP0452120
Compound Name
2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
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Structure
Formula
C13H19FN2O2S
Molecular Weight
286.372
Canonical SMILES
CN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1F
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InChI
InChI=1S/C13H19FN2O2S/c1-15-9-7-11(8-10-15)16(2)19(17,18)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3
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InChIKey
UKUHEWWBIAMUKL-UHFFFAOYSA-N
Physicochemical Property
logP
1.5404
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
40.62
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 43386604
ChEMBL ID
CHEMBL1933412
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 > 10000 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 > 10000 nM
   TI
   LI
   LO
   TS