Chemical Components in the PDB

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VVP : Summary

Code

VVP

One-letter code

X

Molecule name

4-methoxy-1H-indole

Systematic names

ProgramVersionName
ACDLabs 12.01 4-methoxy-1H-indole
OpenEye OEToolkits 2.0.7 4-methoxy-1~{H}-indole

Formula

C9 H9 N O

Formal charge

0

Molecular weight

147.174 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1ccc2c1cccc2OC
SMILES CACTVS 3.385 COc1cccc2[nH]ccc12
SMILES OpenEye OEToolkits 2.0.7 COc1cccc2c1cc[nH]2
Canonical SMILES CACTVS 3.385 COc1cccc2[nH]ccc12
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1cccc2c1cc[nH]2

IUPAC InChI

InChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3

IUPAC InChI key

LUNOXNMCFPFPMO-UHFFFAOYSA-N
VVP

wwPDB Information

Atom count

20 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-09-17

Last modified at

2020-09-25

Status

Released

Obsoleted

Not Assigned