General Information of the Compound
Compound ID
CP0541100
Compound Name
4-methoxy-N-[(1S,2S)-2-phenylmethoxycyclohexyl]benzenesulfonamide
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Structure
Formula
C20H25NO4S
Molecular Weight
375.49
Canonical SMILES
COc1ccc(cc1)S(=O)(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1
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InChI
InChI=1S/C20H25NO4S/c1-24-17-11-13-18(14-12-17)26(22,23)21-19-9-5-6-10-20(19)25-15-16-7-3-2-4-8-16/h2-4,7-8,11-14,19-21H,5-6,9-10,15H2,1H3/t19-,20-/m0/s1
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InChIKey
CPCFONIGYZBLTL-PMACEKPBSA-N
Physicochemical Property
logP
3.5015
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
64.63
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: 76321967
ChEMBL ID
CHEMBL3127394
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: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 28000 nM
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