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A1EXY

Summary
Name:3-[2-[2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]ethyl-methyl-amino]ethyl]-2-methyl-pyrido[1,2-a]pyrimidin-4-one
Formula:C23 H26 F3 N3 O3
Formal charge:0
Formula weight:449.466 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[2-[2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]ethyl-methyl-amino]ethyl]-2-methyl-pyrido[1,2-a]pyrimidin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H26F3N3O3/c1-15-17(22(30)29-10-6-5-7-21(29)27-15)9-12-28(2)11-8-16-13-20(32-4)18(23(24,25)26)14-19(16)31-3/h5-7,10,13-14H,8-9,11-12H2,1-4H3
InChIKeyInChI1.06YRZLOPLPHUOJSL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(c(OC)cc1CCN(C)CCC2=C(C)N=C3C=CC=CN3C2=O)C(F)(F)F
SMILESCACTVS3.385COc1cc(c(OC)cc1CCN(C)CCC2=C(C)N=C3C=CC=CN3C2=O)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1=C(C(=O)N2C=CC=CC2=N1)CCN(C)CCc3cc(c(cc3OC)C(F)(F)F)OC
SMILESOpenEye OEToolkits2.0.7CC1=C(C(=O)N2C=CC=CC2=N1)CCN(C)CCc3cc(c(cc3OC)C(F)(F)F)OC

259351

PDB entries from 2026-09-09

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