alloxazine   Click here for help

GtoPdb Ligand ID: 456

Synonyms: alloxazin | isoalloxazine
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 91.5
Molecular weight 214.05
XLogP 0.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1
Isomeric SMILES O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1
InChI InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)
InChI Key HAUGRYOERYOXHX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1H-Benzo[g]pteridine-2,4-dione
Synonyms Click here for help
alloxazin | isoalloxazine
Database Links Click here for help
BindingDB Ligand 50176052
CAS Registry No. 490-59-5
ChEBI CHEBI:37325, CHEBI:37327
ChEMBL Ligand CHEMBL68500
GtoPdb PubChem SID 135649917
PubChem CID 5372720
Search Google for chemical match using the InChIKey HAUGRYOERYOXHX-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey HAUGRYOERYOXHX-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HAUGRYOERYOXHX-UHFFFAOYSA-N