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Summary Geometry Related PDB entries

F45

Summary

Name:	[6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone
Formula:	C18 H12 F N O4
Formal charge:	0
Formula weight:	325.291 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	[6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone
OpenEye OEToolkits	2.0.4	[6-[3,4-bis(oxidanyl)phenyl]pyridin-2-yl]-(4-fluoranyl-3-oxidanyl-phenyl)methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc(cc1O)C(c2nc(ccc2)c3ccc(c(c3)O)O)=O
InChI	InChI	1.03	InChI=1S/C18H12FNO4/c19-12-6-4-11(9-16(12)22)18(24)14-3-1-2-13(20-14)10-5-7-15(21)17(23)8-10/h1-9,21-23H
InChIKey	InChI	1.03	USZFAGSFWNNZLX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1ccc(cc1O)c2cccc(n2)C(=O)c3ccc(F)c(O)c3
SMILES	CACTVS	3.385	Oc1ccc(cc1O)c2cccc(n2)C(=O)c3ccc(F)c(O)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	c1cc(nc(c1)C(=O)c2ccc(c(c2)O)F)c3ccc(c(c3)O)O
SMILES	OpenEye OEToolkits	2.0.4	c1cc(nc(c1)C(=O)c2ccc(c(c2)O)F)c3ccc(c(c3)O)O

223532

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