General Information of the Compound
Compound ID
CP0535286
Compound Name
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]guanidine
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Structure
Formula
C14H16N4O2S
Molecular Weight
304.375
Canonical SMILES
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(N)=N)cc1
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InChI
InChI=1S/C14H16N4O2S/c1-10-2-8-13(9-3-10)21(19,20)18-12-6-4-11(5-7-12)17-14(15)16/h2-9,18H,1H3,(H4,15,16,17)
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InChIKey
YEBKIPDWIJVJKE-UHFFFAOYSA-N
Physicochemical Property
logP
2.10119
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
108.07
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 12925858
ChEMBL ID
CHEMBL3403527
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: PT03019, Hepatocyte growth factor activator
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 50000 nM
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