General Information of the Compound
Compound ID
CP0272822
Compound Name
N-benzyl-N-ethyl-4-(phenylsulfamoyl)benzamide
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Structure
Formula
C22H22N2O3S
Molecular Weight
394.496
Canonical SMILES
CCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
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InChI
InChI=1S/C22H22N2O3S/c1-2-24(17-18-9-5-3-6-10-18)22(25)19-13-15-21(16-14-19)28(26,27)23-20-11-7-4-8-12-20/h3-16,23H,2,17H2,1H3
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InChIKey
HSFGCMJKYHQRQQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.1497
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 37311853
ChEMBL ID
CHEMBL3355507
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 = 3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6.457 nM
2 IC50 = 12.59 nM