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canSAR501636
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NAMES
    SMILES
    CN1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)OC(C)(C)C)CN(CC(F)(F)F)c2ccccc21
    InChI
    InChI=1S/C26H30F4N4O4/c1-25(2,3)38-24(37)32-18(13-16-9-5-6-10-17(16)27)22(35)31-19-14-34(15-26(28,29)30)21-12-8-7-11-20(21)33(4)23(19)36/h5-12,18-19H,13-15H2,1-4H3,(H,31,35)(H,32,37)/t18-,19-/m1/s1
    MOLECULAR FORMULA
    C26H30F4N4O4
    CROSS REFERENCES
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    canSAR501636

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 538.22
    AlogP 3.79
    HBond donors 2
    HBond acceptors 8
    Atoms 68
    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 canSAR501636.