General Information of the Compound
Compound ID
CP0704955
Compound Name
2,3-di(benzo[d][1,3]dioxol-5-yl)-7-hydroxyquinoxaline-6-carboxylate
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Structure
Formula
C23H14N2O7
Molecular Weight
430.372
Canonical SMILES
O=C(O)c1cc2nc(-c3ccc4c(c3)OCO4)c(-c3ccc4c(c3)OCO4)nc2cc1O
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InChI
InChI=1S/C23H14N2O7/c26-16-8-15-14(7-13(16)23(27)28)24-21(11-1-3-17-19(5-11)31-9-29-17)22(25-15)12-2-4-18-20(6-12)32-10-30-18/h1-8,26H,9-10H2,(H,27,28)
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InChIKey
RLCKAPCULBQPBG-UHFFFAOYSA-N
Physicochemical Property
logP
3.825
Rotatable Bonds
3
Heavy Atom Count
32
Polar Areas
120.23
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
32

"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: 135475052
SID: 56326464
ChEMBL ID
CHEMBL3589011
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
   TI
   LI
   LO
   TS