General Information of the Compound
Compound ID
CP0388305
Compound Name
N-(2,4-difluorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide
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Structure
Formula
C24H20F2N4O3S
Molecular Weight
482.512
Canonical SMILES
Cc1ccc(cc1)S(=O)(=O)N\N=C\c1cn(CC(=O)Nc2ccc(F)cc2F)c2ccccc12
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InChI
InChI=1S/C24H20F2N4O3S/c1-16-6-9-19(10-7-16)34(32,33)29-27-13-17-14-30(23-5-3-2-4-20(17)23)15-24(31)28-22-11-8-18(25)12-21(22)26/h2-14,29H,15H2,1H3,(H,28,31)/b27-13+
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InChIKey
BVCFAWDAKFKKOG-UVHMKAGCSA-N
Physicochemical Property
logP
4.17902
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
92.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 73357152
ChEMBL ID
CHEMBL2440384
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 = 250 nM
   TI
   LI
   LO
   TS
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 = 42970 nM
   TI
   LI
   LO
   TS