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canSAR106087
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NAMES
    SMILES
    CCCCNC(=O)[C@]1(CC)OC(=O)c2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CC
    InChI
    InChI=1S/C26H27N3O4/c1-4-7-12-27-25(32)26(6-3)18-13-20-22-17(14-29(20)23(30)21(18)24(31)33-26)15(5-2)16-10-8-9-11-19(16)28-22/h8-11,13H,4-7,12,14H2,1-3H3,(H,27,32)/t26-/m1/s1
    MOLECULAR FORMULA
    C26H27N3O4
    CROSS REFERENCES
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    canSAR106087

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.20
    AlogP 3.68
    HBond donors 1
    HBond acceptors 7
    Atoms 60
    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 canSAR106087.