Chemical Components in the PDB

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UOK : Summary

Code

UOK

One-letter code

X

Molecule name

2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile

Formula

C11 H10 N2 O

Formal charge

0

Molecular weight

186.21 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc2[nH]cc(CC#N)c2c1
SMILES OpenEye OEToolkits 2.0.7 COc1ccc2c(c1)c(c[nH]2)CC#N
Canonical SMILES CACTVS 3.385 COc1ccc2[nH]cc(CC#N)c2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc2c(c1)c(c[nH]2)CC#N

IUPAC InChI

InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3

IUPAC InChI key

ZBQCXEREMRGOCO-UHFFFAOYSA-N
UOK

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-03-03

Last modified at

2021-06-25

Status

Released

Obsoleted

Not Assigned