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KMM

Summary
Name:6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
Formula:C19 H24 F3 N3
Formal charge:0
Formula weight:351.409 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
OpenEye OEToolkits2.0.66-[2-[3-[3-(dimethylamino)propyl]-2,5,6-tris(fluoranyl)phenyl]ethyl]-4-methyl-pyridin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(CCc1cc(C)cc(n1)N)c(c(CCCN(C)C)cc(c2F)F)F
InChIInChI1.03InChI=1S/C19H24F3N3/c1-12-9-14(24-17(23)10-12)6-7-15-18(21)13(5-4-8-25(2)3)11-16(20)19(15)22/h9-11H,4-8H2,1-3H3,(H2,23,24)
InChIKeyInChI1.03ZAJCMGYRPZNQGR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1F
SMILESCACTVS3.385CN(C)CCCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1F
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F
SMILESOpenEye OEToolkits2.0.6Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F

218853

건을2024-04-24부터공개중

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