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XB8

Summary
Name:~{N}-[3-(2-fluorophenyl)propyl]-~{N}-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]cyclobutanamine
Formula:C28 H32 F N O2
Formal charge:0
Formula weight:433.558 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[3-(2-fluorophenyl)propyl]-~{N}-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]cyclobutanamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C28H32FNO2/c1-31-27-18-7-13-24(28(27)32-21-22-10-3-2-4-11-22)20-30(25-15-8-16-25)19-9-14-23-12-5-6-17-26(23)29/h2-7,10-13,17-18,25H,8-9,14-16,19-21H2,1H3
InChIKeyInChI1.06KZOIYQAEEQKJSB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(CN(CCCc2ccccc2F)C3CCC3)c1OCc4ccccc4
SMILESCACTVS3.385COc1cccc(CN(CCCc2ccccc2F)C3CCC3)c1OCc4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cccc(c1OCc2ccccc2)CN(CCCc3ccccc3F)C4CCC4
SMILESOpenEye OEToolkits2.0.7COc1cccc(c1OCc2ccccc2)CN(CCCc3ccccc3F)C4CCC4

222415

PDB entries from 2024-07-10

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