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W35

Summary
Name:5-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE
Synonyms:WIN VI
WIN 52035
Formula:C18 H22 N2 O3
Formal charge:0
Formula weight:314.379 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-{5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazole
OpenEye OEToolkits1.5.05-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04N1=C(OCC1)c3ccc(OCCCCCc2onc(c2)C)cc3
SMILES_CANONICALCACTVS3.341Cc1cc(CCCCCOc2ccc(cc2)C3=NCCO3)on1
SMILESCACTVS3.341Cc1cc(CCCCCOc2ccc(cc2)C3=NCCO3)on1
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1cc(on1)CCCCCOc2ccc(cc2)C3=NCCO3
SMILESOpenEye OEToolkits1.5.0Cc1cc(on1)CCCCCOc2ccc(cc2)C3=NCCO3
InChIInChI1.03InChI=1S/C18H22N2O3/c1-14-13-17(23-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-22-18/h6-9,13H,2-5,10-12H2,1H3
InChIKeyInChI1.03IWZDYGHUSXWPPM-UHFFFAOYSA-N

219869

PDB entries from 2024-05-15

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