General Information of the Compound
Compound ID
CP0083178
Compound Name
N-(4-methylphenyl)sulfonylpyridine-3-carboxamide
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Structure
Formula
C13H12N2O3S
Molecular Weight
276.317
Canonical SMILES
Cc1ccc(cc1)S(=O)(=O)NC(=O)c1cccnc1
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InChI
InChI=1S/C13H12N2O3S/c1-10-4-6-12(7-5-10)19(17,18)15-13(16)11-3-2-8-14-9-11/h2-9H,1H3,(H,15,16)
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InChIKey
WCMNIGILCBJFMB-UHFFFAOYSA-N
Physicochemical Property
logP
1.50872
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
76.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 1500232
ChEMBL ID
CHEMBL1916951
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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 24830 nM
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