General Information of the Compound
Compound ID
CP0895778
Compound Name
N'-[(1E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylene]-2-methyl-5-nitrobenzenesulfonohydrazide
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Structure
Formula
C15H12BrN5O4S
Molecular Weight
438.263
Canonical SMILES
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N/N=C/c1cnc2ccc(Br)cn12
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InChI
InChI=1S/C15H12BrN5O4S/c1-10-2-4-12(21(22)23)6-14(10)26(24,25)19-18-8-13-7-17-15-5-3-11(16)9-20(13)15/h2-9,19H,1H3/b18-8+
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InChIKey
ZFLTXSSEUQFHCZ-QGMBQPNBSA-N
Physicochemical Property
logP
2.62582
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
118.97
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 25023748
ChEMBL ID
CHEMBL229097
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: PT01368, 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
IC50 = 21 nM
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