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L6L

Summary
Name:3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one
Formula:C19 H27 F3 N2 O2 S2
Formal charge:0
Formula weight:436.555 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits3.1.0.03-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H27F3N2O2S2/c1-23(2)11-13-28-27-12-6-17(25)24-9-7-18(26,8-10-24)15-4-3-5-16(14-15)19(20,21)22/h3-5,14,26H,6-13H2,1-2H3
InChIKeyInChI1.06ODOXOFKRBGHUGR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCSSCCC(=O)N1CCC(O)(CC1)c2cccc(c2)C(F)(F)F
SMILESCACTVS3.385CN(C)CCSSCCC(=O)N1CCC(O)(CC1)c2cccc(c2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CN(C)CCSSCCC(=O)N1CCC(CC1)(c2cccc(c2)C(F)(F)F)O
SMILESOpenEye OEToolkits3.1.0.0CN(C)CCSSCCC(=O)N1CCC(CC1)(c2cccc(c2)C(F)(F)F)O

222415

PDB entries from 2024-07-10

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