General Information of the Compound
Compound ID
CP0577400
Compound Name
N-(5-chloro-2-methoxyphenyl)-2-[4-[4-(4,4-dimethylpiperidine-1-carbonyl)piperazin-1-yl]sulfonylpiperazin-1-yl]acetamide
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Structure
Formula
C25H39ClN6O5S
Molecular Weight
571.144
Canonical SMILES
COc1ccc(Cl)cc1NC(=O)CN1CCN(CC1)S(=O)(=O)N1CCN(CC1)C(=O)N1CCC(C)(C)CC1
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InChI
InChI=1S/C25H39ClN6O5S/c1-25(2)6-8-29(9-7-25)24(34)30-12-16-32(17-13-30)38(35,36)31-14-10-28(11-15-31)19-23(33)27-21-18-20(26)4-5-22(21)37-3/h4-5,18H,6-17,19H2,1-3H3,(H,27,33)
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InChIKey
FMIRISBCSPKEIT-UHFFFAOYSA-N
Physicochemical Property
logP
2.0091
Rotatable Bonds
6
Heavy Atom Count
38
Polar Areas
105.74
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
38

"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: 168298431
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
EC50 = 9000 nM
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