General Information of the Compound
Compound ID
CP0543436
Compound Name
N-benzyl-4-(benzylsulfamoyl)benzamide
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Structure
Formula
C21H20N2O3S
Molecular Weight
380.469
Canonical SMILES
O=C(NCc1ccccc1)c1ccc(cc1)S(=O)(=O)NCc1ccccc1
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InChI
InChI=1S/C21H20N2O3S/c24-21(22-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)27(25,26)23-16-18-9-5-2-6-10-18/h1-14,23H,15-16H2,(H,22,24)
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InChIKey
QDGVJMITKNOVTP-UHFFFAOYSA-N
Physicochemical Property
logP
3.0951
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 4371240
ChEMBL ID
CHEMBL4779405
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 > 25000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 50000 nM
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 > 25000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 50000 nM