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canSAR1966012
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NAMES
    SMILES
    COc1ccc(C(F)(F)F)cc1-c1cccc2nc(Nc3ccc4c(c3)CCN(CCSC)CC4)nn12
    InChI
    InChI=1S/C27H28F3N5OS/c1-36-24-9-7-20(27(28,29)30)17-22(24)23-4-3-5-25-32-26(33-35(23)25)31-21-8-6-18-10-12-34(14-15-37-2)13-11-19(18)16-21/h3-9,16-17H,10-15H2,1-2H3,(H,31,33)
    MOLECULAR FORMULA
    C27H28F3N5OS
    CROSS REFERENCES
    1966012 logo

    canSAR1966012

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 527.20
    AlogP 5.93
    HBond donors 1
    HBond acceptors 6
    Atoms 65
    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 canSAR1966012.