General Information of the Compound
Compound ID
CP0555267
Compound Name
N-methyl-4-(phenylsulfamoyl)-N-[(4-piperidin-4-ylphenyl)methyl]benzamide
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Structure
Formula
C26H29N3O3S
Molecular Weight
463.603
Canonical SMILES
CN(Cc1ccc(cc1)C1CCNCC1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
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InChI
InChI=1S/C26H29N3O3S/c1-29(19-20-7-9-21(10-8-20)22-15-17-27-18-16-22)26(30)23-11-13-25(14-12-23)33(31,32)28-24-5-3-2-4-6-24/h2-14,22,27-28H,15-19H2,1H3
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InChIKey
BRWPJGJHJUEZTD-UHFFFAOYSA-N
Physicochemical Property
logP
4.2266
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
78.51
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 118720899
ChEMBL ID
CHEMBL3355499
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 = 1640 nM
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