General Information of the Compound
Compound ID
CP0561401
Compound Name
N-benzyl-N-(2-phenylethyl)-4-(phenylsulfamoyl)benzamide
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Structure
Formula
C28H26N2O3S
Molecular Weight
470.594
Canonical SMILES
O=C(N(CCc1ccccc1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
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InChI
InChI=1S/C28H26N2O3S/c31-28(25-16-18-27(19-17-25)34(32,33)29-26-14-8-3-9-15-26)30(22-24-12-6-2-7-13-24)21-20-23-10-4-1-5-11-23/h1-19,29H,20-22H2
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InChIKey
WAYUODJKGLZQFI-UHFFFAOYSA-N
Physicochemical Property
logP
5.3725
Rotatable Bonds
9
Heavy Atom Count
34
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
34

"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: 168271791
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: PT02178, LIM domain kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 251 nM
   TI
   LI
   LO
   TS
Protein ID: PT01347, LIM domain kinase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 92 nM
   TI
   LI
   LO
   TS