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W68

Summary
Name:6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine
Formula:C18 H24 F N3
Formal charge:0
Formula weight:301.402 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc2cc(CCc1cc(cc(n1)N)C)cc(c2)CCCNC
InChIInChI1.03InChI=1S/C18H24FN3/c1-13-8-17(22-18(20)9-13)6-5-15-10-14(4-3-7-21-2)11-16(19)12-15/h8-12,21H,3-7H2,1-2H3,(H2,20,22)
InChIKeyInChI1.03PEJWJTGGAYICCM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNCCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1
SMILESCACTVS3.385CNCCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC
SMILESOpenEye OEToolkits2.0.6Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC

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PDB entries from 2024-07-17

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