General Information of the Compound
Compound ID
CP0093615
Compound Name
N-(benzenesulfonyl)pyridine-3-carboxamide
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Structure
Formula
C12H10N2O3S
Molecular Weight
262.29
Canonical SMILES
O=C(NS(=O)(=O)c1ccccc1)c1cccnc1
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InChI
InChI=1S/C12H10N2O3S/c15-12(10-5-4-8-13-9-10)14-18(16,17)11-6-2-1-3-7-11/h1-9H,(H,14,15)
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InChIKey
GNPDPVRNDGWPFM-UHFFFAOYSA-N
Physicochemical Property
logP
1.2003
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
76.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 1500233
SID: 103021493
ChEMBL ID
CHEMBL1916947
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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