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canSAR1114777
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NAMES
    SMILES
    O=C(O)CC1CCC(c2ccc(-c3nc4cc(NC(=O)c5cn(-c6ccccc6)nc5C(F)(F)F)ccc4[nH]3)cc2)CC1
    InChI
    InChI=1S/C32H28F3N5O3/c33-32(34,35)29-25(18-40(39-29)24-4-2-1-3-5-24)31(43)36-23-14-15-26-27(17-23)38-30(37-26)22-12-10-21(11-13-22)20-8-6-19(7-9-20)16-28(41)42/h1-5,10-15,17-20H,6-9,16H2,(H,36,43)(H,37,38)(H,41,42)
    MOLECULAR FORMULA
    C32H28F3N5O3
    CROSS REFERENCES
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    canSAR1114777

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 587.21
    AlogP 7.44
    HBond donors 3
    HBond acceptors 8
    Atoms 71
    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 canSAR1114777.