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3F3

Summary
Name:4-[(2-{5-[(3-METHOXYPHENYL)METHYL]-1,3,4-OXADIAZOL-2-YL}-1-BENZOTHIOPHEN-3-YL)OXY]PIPERIDINE
Formula:C23 H23 N3 O3 S
Formal charge:0
Formula weight:421.512 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-({2-[5-(3-methoxybenzyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophen-3-yl}oxy)piperidine
OpenEye OEToolkits1.7.62-[(3-methoxyphenyl)methyl]-5-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-1,3,4-oxadiazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(c1cccc(c1)Cc2nnc(o2)c5sc3ccccc3c5OC4CCNCC4)C
InChIInChI1.03InChI=1S/C23H23N3O3S/c1-27-17-6-4-5-15(13-17)14-20-25-26-23(29-20)22-21(28-16-9-11-24-12-10-16)18-7-2-3-8-1918)30-22/h2-8,13,16,24H,9-12,14H2,1H3
InChIKeyInChI1.03RWKJYYGODHUKPP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(Cc2oc(nn2)c3sc4ccccc4c3OC5CCNCC5)c1
SMILESCACTVS3.385COc1cccc(Cc2oc(nn2)c3sc4ccccc4c3OC5CCNCC5)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1cccc(c1)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5
SMILESOpenEye OEToolkits1.7.6COc1cccc(c1)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5

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PDB entries from 2026-02-04

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