General Information of the Compound
Compound ID
CP0555151
Compound Name
N-benzyl-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
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Structure
Formula
C22H22N2O4S
Molecular Weight
410.495
Canonical SMILES
COc1ccccc1NS(=O)(=O)c1ccc(cc1)C(=O)N(C)Cc1ccccc1
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InChI
InChI=1S/C22H22N2O4S/c1-24(16-17-8-4-3-5-9-17)22(25)18-12-14-19(15-13-18)29(26,27)23-20-10-6-7-11-21(20)28-2/h3-15,23H,16H2,1-2H3
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InChIKey
TUFSMSWPRKEYRO-UHFFFAOYSA-N
Physicochemical Property
logP
3.7682
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
75.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 46584923
ChEMBL ID
CHEMBL3355485
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 = 1000 nM
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