Chemical Components in the PDB

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EHX : Summary

Code

EHX

One-letter code

X

Molecule name

(9aR)-9a-(dioxidanyl)-1,9-dihydrocarbazole

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (9~{a}~{R})-9~{a}-(dioxidanyl)-1,9-dihydrocarbazole

Formula

C12 H11 N O2

Formal charge

0

Molecular weight

201.221 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OO[C]12CC=CC=C1c3ccccc3N2
SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)C3=CC=CCC3(N2)OO
Canonical SMILES CACTVS 3.385 OO[C@]12CC=CC=C1c3ccccc3N2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)C3=CC=CC[C@@]3(N2)OO

IUPAC InChI

InChI=1S/C12H11NO2/c14-15-12-8-4-3-6-10(12)9-5-1-2-7-11(9)13-12/h1-7,13-14H,8H2/t12-/m1/s1

IUPAC InChI key

UZUUDVVIIUNBSP-GFCCVEGCSA-N
EHX

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

2019-12-25

Last modified at

2021-01-22

Status

Released

Obsoleted

Not Assigned