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SRJ

Summary
Name:(3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol
Formula:C18 H25 N O2
Formal charge:0
Formula weight:287.397 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H25NO2/c20-16(14-4-2-1-3-5-14)17-18(21)10-8-15(9-11-18)19(17)12-13-6-7-13/h1-5,13,15-17,20-21H,6-12H2/t15-,16-,17-,18-/m0/s1
InChIKeyInChI1.03DSFDQDMNXHLFAV-XSLAGTTESA-N
SMILES_CANONICALCACTVS3.385O[C@H]([C@@H]1N(CC2CC2)C3CCC1(O)CC3)c4ccccc4
SMILESCACTVS3.385O[CH]([CH]1N(CC2CC2)C3CCC1(O)CC3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)[C@@H]([C@H]2C3(CCC(N2CC4CC4)CC3)O)O
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)C(C2C3(CCC(N2CC4CC4)CC3)O)O

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PDB entries from 2024-07-17

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