Chemical Components in the PDB

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6QJ : Summary

Code

6QJ

One-letter code

X

Molecule name

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

Systematic names

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

Formula

C19 H14 F N O3

Formal charge

0

Molecular weight

323.318 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(F)c(O)c3
SMILES OpenEye OEToolkits 2.0.5 Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(c(c3)O)F
Canonical SMILES CACTVS 3.385 Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(F)c(O)c3
Canonical SMILES OpenEye OEToolkits 2.0.5 Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(c(c3)O)F

IUPAC InChI

InChI=1S/C19H14FNO3/c1-11-9-12(6-8-17(11)22)15-3-2-4-16(21-15)19(24)13-5-7-14(20)18(23)10-13/h2-10,22-23H,1H3

IUPAC InChI key

QDDLZOOWBSJEFI-UHFFFAOYSA-N
6QJ

wwPDB Information

Atom count

38 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-06-04

Last modified at

2016-12-16

Status

Released

Obsoleted

Not Assigned