Chemical Components in the PDB

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NRH : Summary

Code

NRH

One-letter code

X

Molecule name

Norharmane

Synonyms

9H-beta-carboline

Systematic names

ProgramVersionName
ACDLabs 12.01 9H-beta-carboline
OpenEye OEToolkits 1.7.6 9H-pyrido[3,4-b]indole

Formula

C11 H8 N2

Formal charge

0

Molecular weight

168.195 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n3ccc2c1c(cccc1)nc2c3
SMILES CACTVS 3.370 [nH]1c2ccccc2c3ccncc13
SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)c3ccncc3[nH]2
Canonical SMILES CACTVS 3.370 [nH]1c2ccccc2c3ccncc13
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)c3ccncc3[nH]2

IUPAC InChI

InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H

IUPAC InChI key

AIFRHYZBTHREPW-UHFFFAOYSA-N
NRH

wwPDB Information

Atom count

21 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-04-25

Last modified at

2013-05-17

Status

Released

Obsoleted

Not Assigned