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canSAR112054
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NAMES
    SMILES
    COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN(C)C(C)=O)CC4)cc2)CC3)cc1
    InChI
    InChI=1S/C27H27F3N4O3/c1-17(35)32(2)16-26(13-14-26)18-4-6-19(7-5-18)33-15-12-22-23(25(33)36)34(31-24(22)27(28,29)30)20-8-10-21(37-3)11-9-20/h4-11H,12-16H2,1-3H3
    MOLECULAR FORMULA
    C27H27F3N4O3
    CROSS REFERENCES
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    canSAR112054

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.20
    AlogP 4.61
    HBond donors 0
    HBond acceptors 7
    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 canSAR112054.