General Information of the Compound
Compound ID
CP0864630
Compound Name
7-Hydroxy-2-phenyl-3-methylquinoxaline-6-carboxylic acid
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Structure
Formula
C16H12N2O3
Molecular Weight
280.283
Canonical SMILES
Cc1nc2cc(C(=O)O)c(O)cc2nc1-c1ccccc1
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InChI
InChI=1S/C16H12N2O3/c1-9-15(10-5-3-2-4-6-10)18-13-8-14(19)11(16(20)21)7-12(13)17-9/h2-8,19H,1H3,(H,20,21)
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InChIKey
FOLLIPRQSKTKTH-UHFFFAOYSA-N
Physicochemical Property
logP
3.00902
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
83.31
Hydrogen Bond Donor Count
2
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: 135527589
ChEMBL ID
CHEMBL3717449
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: PT01628, PAS domain-containing serine/threonine-protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 >= 10000 nM
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   LI
   LO
   TS