General Information of the Compound
Compound ID
CP0553542
Compound Name
N-methyl-4-(phenylsulfamoyl)-N-(piperidin-4-ylmethyl)benzamide
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Structure
Formula
C20H25N3O3S
Molecular Weight
387.505
Canonical SMILES
CN(CC1CCNCC1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
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InChI
InChI=1S/C20H25N3O3S/c1-23(15-16-11-13-21-14-12-16)20(24)17-7-9-19(10-8-17)27(25,26)22-18-5-3-2-4-6-18/h2-10,16,21-22H,11-15H2,1H3
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InChIKey
UBFBUNVMPQVTNN-UHFFFAOYSA-N
Physicochemical Property
logP
2.559
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
78.51
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 118720902
ChEMBL ID
CHEMBL3355502
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 > 27000 nM
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   LI
   LO
   TS