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Summary Geometry Related PDB entries

7JG

Summary

Name:	5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
Synonyms:	5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
Formula:	C20 H12 F2 N2 O2
Formal charge:	0
Formula weight:	350.318 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C20H12F2N2O2/c21-13-5-1-11(2-6-13)15-9-16(25)19-18(20(26)24-10-23-19)17(15)12-3-7-14(22)8-4-12/h1-10,25H,(H,23,24,26)
InChIKey	InChI	1.03	XHKWMBTVWDSDBK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1cc(c2ccc(F)cc2)c(c3ccc(F)cc3)c4C(=O)NC=Nc14
SMILES	CACTVS	3.385	Oc1cc(c2ccc(F)cc2)c(c3ccc(F)cc3)c4C(=O)NC=Nc14
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2cc(c3c(c2c4ccc(cc4)F)C(=O)NC=N3)O)F
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2cc(c3c(c2c4ccc(cc4)F)C(=O)NC=N3)O)F

223532

PDB entries from 2024-08-07

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