General Information of the Compound
Compound ID
CP0470457
Compound Name
N-(4-methoxyphenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide
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Structure
Formula
C25H24N4O4S
Molecular Weight
476.558
Canonical SMILES
COc1ccc(NC(=O)Cn2cc(\C=N\NS(=O)(=O)c3ccc(C)cc3)c3ccccc23)cc1
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InChI
InChI=1S/C25H24N4O4S/c1-18-7-13-22(14-8-18)34(31,32)28-26-15-19-16-29(24-6-4-3-5-23(19)24)17-25(30)27-20-9-11-21(33-2)12-10-20/h3-16,28H,17H2,1-2H3,(H,27,30)/b26-15+
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InChIKey
YADSZAZCXUCMNL-CVKSISIWSA-N
Physicochemical Property
logP
3.90942
Rotatable Bonds
8
Heavy Atom Count
34
Polar Areas
101.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
34

"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: 73346539
ChEMBL ID
CHEMBL2440402
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 = 16910 nM
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