General Information of the Compound
Compound ID
CP0375176
Compound Name
N-(4-methoxyphenyl)-2-[3-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]indol-1-yl]acetamide
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Structure
Formula
C26H27N3O5S
Molecular Weight
493.585
Canonical SMILES
COc1ccc(NC(=O)Cn2cc(CCNS(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
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InChI
InChI=1S/C26H27N3O5S/c1-33-21-9-7-20(8-10-21)28-26(30)18-29-17-19(24-5-3-4-6-25(24)29)15-16-27-35(31,32)23-13-11-22(34-2)12-14-23/h3-14,17,27H,15-16,18H2,1-2H3,(H,28,30)
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InChIKey
MUKRAIGNIIAMSO-UHFFFAOYSA-N
Physicochemical Property
logP
3.8182
Rotatable Bonds
10
Heavy Atom Count
35
Polar Areas
98.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
35

"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: 72205492
ChEMBL ID
CHEMBL2440395
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1720 nM
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   LI
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Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 10230 nM
   TI
   LI
   LO
   TS