Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

RM8

Summary
Name:2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole
Formula:C19 H22 N4
Formal charge:0
Formula weight:306.405 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole
OpenEye OEToolkits1.7.22-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1ccccc1N4CCN(Cc2c(nc3ccccc23)C)CC4
InChIInChI1.03InChI=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
InChIKeyInChI1.03ZAXKSLQZANTESC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1[nH]c2ccccc2c1CN3CCN(CC3)c4ccccn4
SMILESCACTVS3.370Cc1[nH]c2ccccc2c1CN3CCN(CC3)c4ccccn4
SMILES_CANONICALOpenEye OEToolkits1.7.2Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4
SMILESOpenEye OEToolkits1.7.2Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon