PYQ

PYROQUILON

Created:	2000-10-25
Last modified:	2021-03-13

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2 entries where PYQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

2D diagram of PYQ

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Chemical Component Summary
Name	PYROQUILON
Synonyms	1,2,5,6-TETRAHYDRO-4H-PYRROLO(3,2,1-IJ)QUINOLIN-4-ONE
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₁ H₁₁ N O
Molecular Weight	173.211
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C3N2c1c(cccc1CC2)CC3
SMILES	CACTVS	3.341	O=C1CCc2cccc3CCN1c23
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c3c(c1)CCN3C(=O)CC2
Canonical SMILES	CACTVS	3.341	O=C1CCc2cccc3CCN1c23
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2c3c(c1)CCN3C(=O)CC2
InChI	InChI	1.03	InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2
InChIKey	InChI	1.03	XRJLAOUDSILTFT-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02756
Name	Pyroquilon
Groups	experimental
Description	Pyroquilon is a commercial blasticide which binds in the naphthol pocket of fungal trihydroxynaphthalene reductase active site.
Synonyms	Pyroquilon 1,2,5,6-tetrahydropyrrolo[3,2,1-ij]quinolin-4-one
Categories	Antifungal Agents Heterocyclic Compounds, Fused-Ring
CAS number	57369-32-1

Related Resource References

Resource Name	Reference
PubChem	91665
ChEMBL	CHEMBL144366
ChEBI	CHEBI:45141
CCDC/CSD	UZIKEV

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.