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canSAR1105477
FEATURES
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NAMES
    SMILES
    CCN(CC)c1ccc(/C=C/C(=O)c2ccc(OC/C=C(\C)CCC=C(C)C)c3c2OC(C)(C)C=C3)cc1
    InChI
    InChI=1S/C34H43NO3/c1-8-35(9-2)28-16-13-27(14-17-28)15-19-31(36)29-18-20-32(30-21-23-34(6,7)38-33(29)30)37-24-22-26(5)12-10-11-25(3)4/h11,13-23H,8-10,12,24H2,1-7H3/b19-15+,26-22+
    MOLECULAR FORMULA
    C34H43NO3
    CROSS REFERENCES
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    canSAR1105477

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 513.32
    AlogP 8.68
    HBond donors 0
    HBond acceptors 4
    Atoms 81
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1105477.