General Information of the Compound
Compound ID
CP0883031
Compound Name
3-((2-(3-methylquinoxalin-2-yl)hydrazono)methyl)phenol
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Structure
Formula
C16H14N4O
Molecular Weight
278.315
Canonical SMILES
Cc1nc2ccccc2nc1N/N=C/c1cccc(O)c1
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InChI
InChI=1S/C16H14N4O/c1-11-16(19-15-8-3-2-7-14(15)18-11)20-17-10-12-5-4-6-13(21)9-12/h2-10,21H,1H3,(H,19,20)/b17-10+
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InChIKey
FEYVFTVJSPEYTO-LICLKQGHSA-N
Physicochemical Property
logP
3.08982
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
70.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 39869221
ChEMBL ID
CHEMBL474453
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 2400 nM
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