General Information of the Compound
Compound ID
CP0410607
Compound Name
N-(3-aminopropyl)-N-benzyl-4-(phenylsulfamoyl)benzamide
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Structure
Formula
C23H25N3O3S
Molecular Weight
423.538
Canonical SMILES
NCCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
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InChI
InChI=1S/C23H25N3O3S/c24-16-7-17-26(18-19-8-3-1-4-9-19)23(27)20-12-14-22(15-13-20)30(28,29)25-21-10-5-2-6-11-21/h1-6,8-15,25H,7,16-18,24H2
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InChIKey
CUFGKGXAWMMGOM-UHFFFAOYSA-N
Physicochemical Property
logP
3.4786
Rotatable Bonds
9
Heavy Atom Count
30
Polar Areas
92.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 118720909
ChEMBL ID
CHEMBL3355512
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 = 1500 nM
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