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I6Y

Summary
Name:1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole
Formula:C19 H22 N4
Formal charge:0
Formula weight:306.405 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H22N4/c1-2-19-18(15-17(1)16-3-6-20-7-4-16)5-10-23(19)14-13-22-11-8-21-9-12-22/h1-7,10,15,21H,8-9,11-14H2
InChIKeyInChI1.06VBMJJJLARMSVGX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C1CN(CCN1)CCn2ccc3cc(ccc23)c4ccncc4
SMILESCACTVS3.385C1CN(CCN1)CCn2ccc3cc(ccc23)c4ccncc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c(ccn2CCN3CCNCC3)cc1c4ccncc4
SMILESOpenEye OEToolkits2.0.7c1cc2c(ccn2CCN3CCNCC3)cc1c4ccncc4

221051

PDB entries from 2024-06-12

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