canSAR824425
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](N)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)OCC2c3ccccc3-c3ccccc32)[C@](C)(O)C[C@@H](C)N(CCF)C[C@H](C)[C@@H](O)[C@]1(C)O
    InChI
    InChI=1S/C54H84FN3O13/c1-14-42-54(10,63)47(59)30(2)28-58(24-23-55)31(3)26-52(8,62)48(33(5)44(34(6)49(60)68-42)69-43-27-53(9,64-13)46(56)35(7)67-43)71-50-45(41(57(11)12)25-32(4)66-50)70-51(61)65-29-40-38-21-17-15-19-36(38)37-20-16-18-22-39(37)40/h15-22,30-35,40-48,50,59,62-63H,14,23-29,56H2,1-13H3/t30-,31+,32+,33-,34+,35-,41-,42+,43-,44-,45+,46-,47+,48+,50-,52+,53+,54+/m0/s1
    MOLECULAR FORMULA
    C54H84FN3O13
    CROSS REFERENCES
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    canSAR824425
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1001.60
    AlogP6.18
    HBond donors5
    HBond acceptors16
    Atoms155
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824425.