General Information of the Compound
Compound ID
CP0540198
Compound Name
2-Methoxy-N-(4-oxo-1-phenyl-cyclohexylmethyl)-benzenesulfonamide
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Structure
Formula
C20H23NO4S
Molecular Weight
373.474
Canonical SMILES
COc1ccccc1S(=O)(=O)NCC1(CCC(=O)CC1)c1ccccc1
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InChI
InChI=1S/C20H23NO4S/c1-25-18-9-5-6-10-19(18)26(23,24)21-15-20(13-11-17(22)12-14-20)16-7-3-2-4-8-16/h2-10,21H,11-15H2,1H3
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InChIKey
AXSBITHLZSBWCK-UHFFFAOYSA-N
Physicochemical Property
logP
3.0546
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
72.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 44270907
ChEMBL ID
CHEMBL279337
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: PT02298, Potassium voltage-gated channel subfamily A member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS