General Information of the Compound
Compound ID
CP0555149
Compound Name
N-[[4-(2-methoxyethoxy)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide
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Structure
Formula
C24H26N2O5S
Molecular Weight
454.548
Canonical SMILES
COCCOc1ccc(CN(C)C(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2)cc1
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InChI
InChI=1S/C24H26N2O5S/c1-26(18-19-8-12-22(13-9-19)31-17-16-30-2)24(27)20-10-14-23(15-11-20)32(28,29)25-21-6-4-3-5-7-21/h3-15,25H,16-18H2,1-2H3
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InChIKey
KDSVANHTYAGFHO-UHFFFAOYSA-N
Physicochemical Property
logP
3.7848
Rotatable Bonds
10
Heavy Atom Count
32
Polar Areas
84.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 118720896
ChEMBL ID
CHEMBL3355496
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: PT01347, LIM domain kinase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 34 nM
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