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canSAR786705
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NAMES
    SMILES
    O=C(c1cc(F)cc(F)c1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1
    InChI
    InChI=1S/C21H18F2N4OS/c22-13-5-12(6-14(23)7-13)20(28)27-9-16-15(17(16)10-27)8-25-21-26-19(11-29-21)18-3-1-2-4-24-18/h1-7,11,15-17H,8-10H2,(H,25,26)/t15-,16+,17-
    MOLECULAR FORMULA
    C21H18F2N4OS
    CROSS REFERENCES
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    canSAR786705

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.12
    AlogP 3.91
    HBond donors 1
    HBond acceptors 5
    Atoms 47
    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 canSAR786705.