General Information of the Compound
Compound ID
CP0920157
Compound Name
N,2-dimethyl-N'-[(1E)-(6-methylimidazo[1,2-a]pyridin-3-yl)methylene]-5-nitrobenzenesulfonohydrazide hydrochloride
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Structure
Formula
C17H18ClN5O4S
Molecular Weight
423.882
Canonical SMILES
Cc1ccc2ncc(/C=N/N(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2c1.Cl
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InChI
InChI=1S/C17H17N5O4S.ClH/c1-12-4-7-17-18-9-15(21(17)11-12)10-19-20(3)27(25,26)16-8-14(22(23)24)6-5-13(16)2;/h4-11H,1-3H3;1H/b19-10+;
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InChIKey
DRJWGGFLADGATI-ZIOFAICLSA-N
Physicochemical Property
logP
2.93574
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: 45263508
ChEMBL ID
CHEMBL559361
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 = 6 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 = 120 nM
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