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KMJ

Summary
Name:6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine
Formula:C19 H25 F2 N3
Formal charge:0
Formula weight:333.419 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(cc(C)cc(CCc1c(F)c(cc(c1)F)CCCN(C)C)n2)N
InChIInChI1.03InChI=1S/C19H25F2N3/c1-13-9-17(23-18(22)10-13)7-6-15-12-16(20)11-14(19(15)21)5-4-8-24(2)3/h9-12H,4-8H2,1-3H3,(H2,22,23)
InChIKeyInChI1.03ZUJBVDNPPNRQBW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1F
SMILESCACTVS3.385CN(C)CCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1F
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(nc(c1)N)CCc2cc(cc(c2F)CCCN(C)C)F
SMILESOpenEye OEToolkits2.0.6Cc1cc(nc(c1)N)CCc2cc(cc(c2F)CCCN(C)C)F

218853

PDB entries from 2024-04-24

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