Chemical Components in the PDB

pdbe.org/chem
spacer

CVW : Summary

Code

CVW

One-letter code

X

Molecule name

2-(5-methyl-1~{H}-indol-3-yl)ethanamine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-(5-methyl-1~{H}-indol-3-yl)ethanamine

Formula

C11 H14 N2

Formal charge

0

Molecular weight

174.242 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1ccc2[nH]cc(CCN)c2c1
SMILES OpenEye OEToolkits 2.0.6 Cc1ccc2c(c1)c(c[nH]2)CCN
Canonical SMILES CACTVS 3.385 Cc1ccc2[nH]cc(CCN)c2c1
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1ccc2c(c1)c(c[nH]2)CCN

IUPAC InChI

InChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3

IUPAC InChI key

PYOUAIQXJALPKW-UHFFFAOYSA-N
CVW

wwPDB Information

Atom count

27 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-12-08

Last modified at

2018-12-14

Status

Released

Obsoleted

Not Assigned