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canSAR163815
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NAMES
    SMILES
    COc1ccc(C#Cc2ccccc2)c(CC(C)N(C)Cc2ccc(OC)c(OC)c2)c1
    InChI
    InChI=1S/C28H31NO3/c1-21(29(2)20-23-12-16-27(31-4)28(18-23)32-5)17-25-19-26(30-3)15-14-24(25)13-11-22-9-7-6-8-10-22/h6-10,12,14-16,18-19,21H,17,20H2,1-5H3
    MOLECULAR FORMULA
    C28H31NO3
    CROSS REFERENCES
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    canSAR163815

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.23
    AlogP 5.18
    HBond donors 0
    HBond acceptors 4
    Atoms 63
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR163815.