General Information of the Compound
Compound ID
CP0259778
Compound Name
N-benzyl-N-butyl-4-(phenylsulfamoyl)benzamide
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Structure
Formula
C24H26N2O3S
Molecular Weight
422.55
Canonical SMILES
CCCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
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InChI
InChI=1S/C24H26N2O3S/c1-2-3-18-26(19-20-10-6-4-7-11-20)24(27)21-14-16-23(17-15-21)30(28,29)25-22-12-8-5-9-13-22/h4-17,25H,2-3,18-19H2,1H3
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InChIKey
VNCIWNGCMAKKEO-UHFFFAOYSA-N
Physicochemical Property
logP
4.9299
Rotatable Bonds
9
Heavy Atom Count
30
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 137796294
ChEMBL ID
CHEMBL4790618
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 229.09 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 238 nM
   TI
   LI
   LO
   TS
CL000017 HeLa Homo sapiens (Human)  1
1
Kd = 682 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 83.8 nM
2 IC50 = 194.98 nM
3 IC50 = 199.53 nM
4 IC50 = 824 nM
5 Kd = 120 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 = 91 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 190.55 nM
   TI
   LI
   LO
   TS
CL000017 HeLa Homo sapiens (Human)  1
1
Kd = 1657 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 14.45 nM
2 IC50 = 15.49 nM
3 IC50 = 15.5 nM