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A1EY8

Summary
Name:Azetukalner
Formula:C23 H29 F N2 O
Formal charge:0
Formula weight:368.488 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[4-(6-fluoranyl-3,4-dihydro-1~{H}-isoquinolin-2-yl)-2,6-dimethyl-phenyl]-3,3-dimethyl-butanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H29FN2O/c1-15-10-20(11-16(2)22(15)25-21(27)13-23(3,4)5)26-9-8-17-12-19(24)7-6-18(17)14-26/h6-7,10-12H,8-9,13-14H2,1-5H3,(H,25,27)
InChIKeyInChI1.06FJNPZKZPWVVSON-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(cc(C)c1NC(=O)CC(C)(C)C)N2CCc3cc(F)ccc3C2
SMILESCACTVS3.385Cc1cc(cc(C)c1NC(=O)CC(C)(C)C)N2CCc3cc(F)ccc3C2
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(cc(c1NC(=O)CC(C)(C)C)C)N2CCc3cc(ccc3C2)F
SMILESOpenEye OEToolkits2.0.7Cc1cc(cc(c1NC(=O)CC(C)(C)C)C)N2CCc3cc(ccc3C2)F

254227

PDB entries from 2026-05-27

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