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KL7

Summary
Name:6-(2-{3-[3-(dimethylamino)propyl]-2,6-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]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine
OpenEye OEToolkits2.0.66-[2-[3-[3-(dimethylamino)propyl]-2,6-bis(fluoranyl)phenyl]ethyl]-4-methyl-pyridin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN(C)CCCc1c(c(c(cc1)F)CCc2cc(cc(n2)N)C)F
InChIInChI1.03InChI=1S/C19H25F2N3/c1-13-11-15(23-18(22)12-13)7-8-16-17(20)9-6-14(19(16)21)5-4-10-24(2)3/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H2,22,23)
InChIKeyInChI1.03MXQLPMXQTGKLHB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCCc1ccc(F)c(CCc2cc(C)cc(N)n2)c1F
SMILESCACTVS3.385CN(C)CCCc1ccc(F)c(CCc2cc(C)cc(N)n2)c1F
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F
SMILESOpenEye OEToolkits2.0.6Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F

219140

PDB entries from 2024-05-01

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