Chemical Components in the PDB

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7JW : Summary

Code

7JW

One-letter code

X

Molecule name

7-(4-fluorophenyl)quinoxalin-5-ol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 7-(4-fluorophenyl)quinoxalin-5-ol

Formula

C14 H9 F N2 O

Formal charge

0

Molecular weight

240.232 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1cc(cc2nccnc12)c3ccc(F)cc3
SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1c2cc3c(c(c2)O)nccn3)F
Canonical SMILES CACTVS 3.385 Oc1cc(cc2nccnc12)c3ccc(F)cc3
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1c2cc3c(c(c2)O)nccn3)F

IUPAC InChI

InChI=1S/C14H9FN2O/c15-11-3-1-9(2-4-11)10-7-12-14(13(18)8-10)17-6-5-16-12/h1-8,18H

IUPAC InChI key

YJDUBGAXILBNCU-UHFFFAOYSA-N
7JW

wwPDB Information

Atom count

27 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-11-02

Last modified at

2017-11-17

Status

Released

Obsoleted

Not Assigned