Chemical Components in the PDB

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8GK : Summary

Code

8GK

One-letter code

X

Molecule name

~{N}-oxidanylnaphthalene-1-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-oxidanylnaphthalene-1-carboxamide

Formula

C11 H9 N O2

Formal charge

0

Molecular weight

187.195 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 ONC(=O)c1cccc2ccccc12
SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)cccc2C(=O)NO
Canonical SMILES CACTVS 3.385 ONC(=O)c1cccc2ccccc12
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)cccc2C(=O)NO

IUPAC InChI

InChI=1S/C11H9NO2/c13-11(12-14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,14H,(H,12,13)

IUPAC InChI key

JRZGPWOEHDOVMC-UHFFFAOYSA-N
8GK

wwPDB Information

Atom count

23 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-02-06

Last modified at

2018-02-16

Status

Released

Obsoleted

Not Assigned