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canSAR913650
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NAMES
    SMILES
    C[C@@H]1SCc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(F)cc4)CC3)c21
    InChI
    InChI=1S/C20H24FN5OS/c1-13-18-17(11-28-13)23-12-24-19(18)25-6-8-26(9-7-25)20(27)16(22)10-14-2-4-15(21)5-3-14/h2-5,12-13,16H,6-11,22H2,1H3/t13-,16+/m0/s1
    MOLECULAR FORMULA
    C20H24FN5OS
    CROSS REFERENCES
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    canSAR913650

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.17
    AlogP 2.14
    HBond donors 2
    HBond acceptors 6
    Atoms 52
    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 canSAR913650.