General Information of the Compound
Compound ID
CP0942057
Compound Name
N'-[(1E)-1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethylidene]-N,2-dimethyl-5-nitrobenzenesulfonohydrazide
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Structure
Formula
C18H18BrN5O4S
Molecular Weight
480.344
Canonical SMILES
C/C(=N\N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1c(C)nc2ccc(Br)cn12
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InChI
InChI=1S/C18H18BrN5O4S/c1-11-5-7-15(24(25)26)9-16(11)29(27,28)22(4)21-13(3)18-12(2)20-17-8-6-14(19)10-23(17)18/h5-10H,1-4H3/b21-13+
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InChIKey
FYUHZYNBDLUSDY-FYJGNVAPSA-N
Physicochemical Property
logP
3.66654
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
110.18
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
29

"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: 25023749
ChEMBL ID
CHEMBL387636
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 = 170 nM
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