Chemical Components in the PDB

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RM8 : Summary

Code

RM8

One-letter code

X

Molecule name

2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole

Systematic names

ProgramVersionName
ACDLabs 12.01 2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole
OpenEye OEToolkits 1.7.2 2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole

Formula

C19 H22 N4

Formal charge

0

Molecular weight

306.405 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1ccccc1N4CCN(Cc2c(nc3ccccc23)C)CC4
SMILES CACTVS 3.370 Cc1[nH]c2ccccc2c1CN3CCN(CC3)c4ccccn4
SMILES OpenEye OEToolkits 1.7.2 Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4
Canonical SMILES CACTVS 3.370 Cc1[nH]c2ccccc2c1CN3CCN(CC3)c4ccccn4
Canonical SMILES OpenEye OEToolkits 1.7.2 Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4

IUPAC InChI

InChI=1S/C19H22N4/c1-15-17(16-6-2-3-7-18(16)21-15)14-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h2-9,21H,10-14H2,1H3

IUPAC InChI key

ZAXKSLQZANTESC-UHFFFAOYSA-N
RM8

wwPDB Information

Atom count

45 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-07-20

Last modified at

2011-08-19

Status

Released

Obsoleted

Not Assigned