PWA

7-fluoroquinazolin-4(3H)-one

Created:	2019-08-27
Last modified:	2019-12-25

Find Related PDB Entry
1 entries where PWA is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

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

2D diagram of PWA

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	7-fluoroquinazolin-4(3H)-one
Systematic Name (OpenEye OEToolkits)	7-fluoranyl-3~{H}-quinazolin-4-one
Formula	C₈ H₅ F N₂ O
Molecular Weight	164.137
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1C(c2c(N=C1)cc(cc2)F)=O
SMILES	CACTVS	3.385	Fc1ccc2C(=O)NC=Nc2c1
SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(cc1F)N=CNC2=O
Canonical SMILES	CACTVS	3.385	Fc1ccc2C(=O)NC=Nc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(cc1F)N=CNC2=O
InChI	InChI	1.03	InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
InChIKey	InChI	1.03	KCORZHJVTZIZFD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135398496, 7018323
ChEMBL	CHEMBL1949849

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.