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canSAR780763
FEATURES
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NAMES
    SMILES
    CC1(C)CC2CC(C)(CN2CCC(=O)NC2=CC3C(=O)c4ccc(NC(=O)CCN5CC6(C)CC5CC(C)(C)C6)cc4C(=O)C3C=C2)C1
    InChI
    InChI=1S/C40H54N4O4/c1-37(2)17-27-19-39(5,21-37)23-43(27)13-11-33(45)41-25-7-9-29-31(15-25)35(47)30-10-8-26(16-32(30)36(29)48)42-34(46)12-14-44-24-40(6)20-28(44)18-38(3,4)22-40/h7-10,15-16,27-29,31H,11-14,17-24H2,1-6H3,(H,41,45)(H,42,46)
    MOLECULAR FORMULA
    C40H54N4O4
    CROSS REFERENCES
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    canSAR780763

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 654.41
    AlogP 6.39
    HBond donors 2
    HBond acceptors 8
    Atoms 102
    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 canSAR780763.