JPZ

quinazolin-4(1H)-one

Created:	2010-07-13
Last modified:	2011-06-04

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3 entries where JPZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of JPZ

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Chemical Component Summary
Name	quinazolin-4(1H)-one
Systematic Name (OpenEye OEToolkits)	1H-quinazolin-4-one
Formula	C₈ H₆ N₂ O
Molecular Weight	146.146
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2N=CNc1ccccc12
SMILES	CACTVS	3.370	O=C1N=CNc2ccccc12
SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)C(=O)N=CN2
Canonical SMILES	CACTVS	3.370	O=C1N=CNc2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)C(=O)N=CN2
InChI	InChI	1.03	InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
InChIKey	InChI	1.03	QMNUDYFKZYBWQX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135408753, 63112, 5320866
ChEMBL	CHEMBL266540
ChEBI	CHEBI:113558
CCDC/CSD	USAREN, XABFOY, BIHJIO, WEFKID, OWIXAU, AYIWIQ, EXUFIO

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.