General Information of the Compound
Compound ID
CP0868559
Compound Name
2-(2-(4-fluorobenzylidene)hydrazinyl)-3-methylquinoxaline
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Structure
Formula
C16H13FN4
Molecular Weight
280.306
Canonical SMILES
Cc1nc2ccccc2nc1N/N=C/c1ccc(F)cc1
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InChI
InChI=1S/C16H13FN4/c1-11-16(20-15-5-3-2-4-14(15)19-11)21-18-10-12-6-8-13(17)9-7-12/h2-10H,1H3,(H,20,21)/b18-10+
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InChIKey
RNWMPXWQZJHDBY-VCHYOVAHSA-N
Physicochemical Property
logP
3.52332
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
50.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 9567199
SID: 135635148
ChEMBL ID
CHEMBL514352
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 > 5000 nM
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   LI
   LO
   TS