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canSAR727197
FEATURES
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NAMES
    SMILES
    CCCCCCOc1cc(/C=C/C(=O)NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OCCCCCC)c1O
    InChI
    InChI=1S/C36H55NO5/c1-9-11-13-15-19-41-30-23-26(24-31(34(30)40)42-20-16-14-12-10-2)17-18-32(38)37-25-27-21-28(35(3,4)5)33(39)29(22-27)36(6,7)8/h17-18,21-24,39-40H,9-16,19-20,25H2,1-8H3,(H,37,38)/b18-17+
    MOLECULAR FORMULA
    C36H55NO5
    CROSS REFERENCES
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    canSAR727197

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 581.41
    AlogP 8.94
    HBond donors 3
    HBond acceptors 6
    Atoms 97
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR727197.