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canSAR1489686
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NAMES
    SMILES
    O=C(c1nnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)o1)c1nc2ccc(-c3ccccc3)cc2s1
    InChI
    InChI=1S/C27H20F3N5O2S/c28-27(29,30)19-7-9-20(10-8-19)34-12-14-35(15-13-34)26-33-32-24(37-26)23(36)25-31-21-11-6-18(16-22(21)38-25)17-4-2-1-3-5-17/h1-11,16H,12-15H2
    MOLECULAR FORMULA
    C27H20F3N5O2S
    CROSS REFERENCES
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    canSAR1489686

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 535.13
    AlogP 5.92
    HBond donors 0
    HBond acceptors 7
    Atoms 58
    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 canSAR1489686.