General Information of the Compound
Compound ID
CP0508915
Compound Name
N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide
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Structure
Formula
C12H9ClN2O3S
Molecular Weight
296.735
Canonical SMILES
Clc1ncccc1C(=O)NS(=O)(=O)c1ccccc1
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InChI
InChI=1S/C12H9ClN2O3S/c13-11-10(7-4-8-14-11)12(16)15-19(17,18)9-5-2-1-3-6-9/h1-8H,(H,15,16)
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InChIKey
AXKGKUZONMZUHS-UHFFFAOYSA-N
Physicochemical Property
logP
1.8537
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: 57401428
ChEMBL ID
CHEMBL1945449
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 > 30000 nM
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 14020 nM
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   TS