General Information of the Compound
Compound ID
CP0495427
Compound Name
N-[2-chloro-5-(1,8-naphthyridin-3-yl)pyridin-3-yl]-4-fluorobenzenesulfonamide
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Structure
Formula
C19H12ClFN4O2S
Molecular Weight
414.849
Canonical SMILES
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2ncccc2c1
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InChI
InChI=1S/C19H12ClFN4O2S/c20-18-17(25-28(26,27)16-5-3-15(21)4-6-16)9-14(10-23-18)13-8-12-2-1-7-22-19(12)24-11-13/h1-11,25H
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InChIKey
GVTHYMBGAHNEQM-UHFFFAOYSA-N
Physicochemical Property
logP
4.2851
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
84.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 44610008
SID: 87459895
ChEMBL ID
CHEMBL1914714
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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 856 nM
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