General Information of the Compound
Compound ID
CP0897964
Compound Name
N'-[(1E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylidene]-N,2-dimethyl-5-nitrobenzenesulfonohydrazide
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Structure
Formula
C17H16BrN5O4S
Molecular Weight
466.317
Canonical SMILES
C/C(=N\N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1cnc2ccc(Br)cn12
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InChI
InChI=1S/C17H16BrN5O4S/c1-11-4-6-14(23(24)25)8-16(11)28(26,27)21(3)20-12(2)15-9-19-17-7-5-13(18)10-22(15)17/h4-10H,1-3H3/b20-12+
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InChIKey
KKRZFLKUUIPLCW-UDWIEESQSA-N
Physicochemical Property
logP
3.35812
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
110.18
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
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: 25023750
ChEMBL ID
CHEMBL229098
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 = 81 nM
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000045 A-375 Homo sapiens (Human)  1
1
IC50 = 20000 nM
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