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6QO : Summary

Code

6QO

One-letter code

X

Molecule name

(4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 (4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone

Formula

C18 H11 F2 N O3

Formal charge

0

Molecular weight

327.282 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1cc(ccc1F)C(=O)c2cccc(n2)c3cccc(O)c3F
SMILES OpenEye OEToolkits 2.0.5 c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3)O)F
Canonical SMILES CACTVS 3.385 Oc1cc(ccc1F)C(=O)c2cccc(n2)c3cccc(O)c3F
Canonical SMILES OpenEye OEToolkits 2.0.5 c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3)O)F

IUPAC InChI

InChI=1S/C18H11F2NO3/c19-12-8-7-10(9-16(12)23)18(24)14-5-2-4-13(21-14)11-3-1-6-15(22)17(11)20/h1-9,22-23H

IUPAC InChI key

MXIARVBICPPOCG-UHFFFAOYSA-N
6QO

wwPDB Information

Atom count

35 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-06-06

Last modified at

2016-12-16

Status

Released

Obsoleted

Not Assigned