Chemical Components in the PDB

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53G : Summary

Code

53G

One-letter code

X

Molecule name

N,N-dimethylquinoxaline-6-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N,N-dimethylquinoxaline-6-carboxamide
OpenEye OEToolkits 1.9.2 N,N-dimethylquinoxaline-6-carboxamide

Formula

C11 H11 N3 O

Formal charge

0

Molecular weight

201.225 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1ccnc2ccc(cc12)C(=O)N(C)C
SMILES CACTVS 3.385 CN(C)C(=O)c1ccc2nccnc2c1
SMILES OpenEye OEToolkits 1.9.2 CN(C)C(=O)c1ccc2c(c1)nccn2
Canonical SMILES CACTVS 3.385 CN(C)C(=O)c1ccc2nccnc2c1
Canonical SMILES OpenEye OEToolkits 1.9.2 CN(C)C(=O)c1ccc2c(c1)nccn2

IUPAC InChI

InChI=1S/C11H11N3O/c1-14(2)11(15)8-3-4-9-10(7-8)13-6-5-12-9/h3-7H,1-2H3

IUPAC InChI key

HQOVESVNZPVFDO-UHFFFAOYSA-N
53G

wwPDB Information

Atom count

26 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-07-21

Last modified at

2015-09-04

Status

Released

Obsoleted

Not Assigned