General Information of the Compound
Compound ID
CP0410608
Compound Name
N-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide
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Structure
Formula
C23H24N2O5S
Molecular Weight
440.521
Canonical SMILES
CN(Cc1ccc(cc1)C(O)CO)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
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InChI
InChI=1S/C23H24N2O5S/c1-25(15-17-7-9-18(10-8-17)22(27)16-26)23(28)19-11-13-21(14-12-19)31(29,30)24-20-5-3-2-4-6-20/h2-14,22,24,26-27H,15-16H2,1H3
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InChIKey
LJBXWGVECYNLLM-UHFFFAOYSA-N
Physicochemical Property
logP
2.7853
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
106.94
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 118720898
ChEMBL ID
CHEMBL3355498
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 = 92 nM
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