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XVA

Summary
Name:4-(difluoromethyl)-6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine
Formula:C18 H21 F4 N3
Formal charge:0
Formula weight:355.373 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(difluoromethyl)-6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine
OpenEye OEToolkits2.0.74-[bis(fluoranyl)methyl]-6-[2-[5-[2-(dimethylamino)ethyl]-2,3-bis(fluoranyl)phenyl]ethyl]pyridin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)c1cc(CCc2cc(CCN(C)C)cc(F)c2F)nc(N)c1
InChIInChI1.06InChI=1S/C18H21F4N3/c1-25(2)6-5-11-7-12(17(20)15(19)8-11)3-4-14-9-13(18(21)22)10-16(23)24-14/h7-10,18H,3-6H2,1-2H3,(H2,23,24)
InChIKeyInChI1.06MBNBALAHMQJWSW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCc1cc(F)c(F)c(CCc2cc(cc(N)n2)C(F)F)c1
SMILESCACTVS3.385CN(C)CCc1cc(F)c(F)c(CCc2cc(cc(N)n2)C(F)F)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)CCc1cc(c(c(c1)F)F)CCc2cc(cc(n2)N)C(F)F
SMILESOpenEye OEToolkits2.0.7CN(C)CCc1cc(c(c(c1)F)F)CCc2cc(cc(n2)N)C(F)F

223532

건을2024-08-07부터공개중

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