Chemical Components in the PDB

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JB5 : Summary

Code

JB5

One-letter code

X

Molecule name

quinoxalin-6-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 quinoxalin-6-amine

Formula

C8 H7 N3

Formal charge

0

Molecular weight

145.161 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1ccc2nccnc2c1
SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1N)nccn2
Canonical SMILES CACTVS 3.385 Nc1ccc2nccnc2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1N)nccn2

IUPAC InChI

InChI=1S/C8H7N3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,9H2

IUPAC InChI key

MSGRFBKVMUKEGZ-UHFFFAOYSA-N
JB5

wwPDB Information

Atom count

18 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-02-13

Last modified at

2020-02-21

Status

Released

Obsoleted

Not Assigned