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A1CN7

Summary
Name:6-({2,3-difluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine
Formula:C18 H20 F3 N3 O
Formal charge:0
Formula weight:351.366 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.526-({2,3-difluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine
OpenEye OEToolkits3.1.0.06-[[2,3-bis(fluoranyl)-5-[2-(3-fluoranylazetidin-1-yl)ethyl]phenoxy]methyl]-4-methyl-pyridin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Cc1cc(nc(N)c1)COc1cc(CCN2CC(F)C2)cc(F)c1F
InChIInChI1.06InChI=1S/C18H20F3N3O/c1-11-4-14(23-17(22)5-11)10-25-16-7-12(6-15(20)18(16)21)2-3-24-8-13(19)9-24/h4-7,13H,2-3,8-10H2,1H3,(H2,22,23)
InChIKeyInChI1.06SXEQIJRFMBCYEG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(N)nc(COc2cc(CCN3CC(F)C3)cc(F)c2F)c1
SMILESCACTVS3.385Cc1cc(N)nc(COc2cc(CCN3CC(F)C3)cc(F)c2F)c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN3CC(C3)F
SMILESOpenEye OEToolkits3.1.0.0Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN3CC(C3)F

256158

PDB entries from 2026-07-08

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