General Information of the Compound
Compound ID
CP0569741
Compound Name
2-[4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylpiperazin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
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Structure
Formula
C23H30ClN5O6S2
Molecular Weight
572.109
Canonical SMILES
COc1ccc(Cl)cc1NC(=O)CN1CCN(CC1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1
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InChI
InChI=1S/C23H30ClN5O6S2/c1-35-22-8-7-19(24)17-21(22)25-23(30)18-26-9-11-28(12-10-26)37(33,34)29-15-13-27(14-16-29)36(31,32)20-5-3-2-4-6-20/h2-8,17H,9-16,18H2,1H3,(H,25,30)
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InChIKey
DQQCPXBQYCDKEF-UHFFFAOYSA-N
Physicochemical Property
logP
1.156
Rotatable Bonds
8
Heavy Atom Count
37
Polar Areas
119.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
37

"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: 168299721
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: PT06983, Potassium channel subfamily T member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1100 nM
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