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canSAR1126031
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NAMES
    SMILES
    COc1ccc([C@H]2CC3(ON2c2ccccc2)C(=O)O[C@@H]2C4=C(C)C(=O)C=C[C@]4(C)CC[C@H]23)cc1Br
    InChI
    InChI=1S/C29H28BrNO5/c1-17-23(32)12-14-28(2)13-11-20-26(25(17)28)35-27(33)29(20)16-22(18-9-10-24(34-3)21(30)15-18)31(36-29)19-7-5-4-6-8-19/h4-10,12,14-15,20,22,26H,11,13,16H2,1-3H3/t20-,22-,26+,28+,29?/m1/s1
    MOLECULAR FORMULA
    C29H28BrNO5
    CROSS REFERENCES
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    canSAR1126031

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 549.12
    AlogP 5.88
    HBond donors 0
    HBond acceptors 6
    Atoms 64
    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 canSAR1126031.