General Information of the Compound
Compound ID
CP0505016
Compound Name
pyridopyrazinone, 22
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Structure
Formula
C7H5N3O2
Molecular Weight
163.136
Canonical SMILES
Oc1cc2nccnc2[nH]c1=O
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InChI
InChI=1S/C7H5N3O2/c11-5-3-4-6(10-7(5)12)9-2-1-8-4/h1-3,11H,(H,9,10,12)
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InChIKey
YXJMWQZLHSAFLN-UHFFFAOYSA-N
Physicochemical Property
logP
0.0237
Rotatable Bonds
0
Heavy Atom Count
12
Polar Areas
78.87
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
12

"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: 135930270
SID: 85157381
ChEMBL ID
CHEMBL504396
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: PT02547, D-amino-acid oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04851, D-aspartate oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS