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canSAR1596675
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NAMES
    SMILES
    CCc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-c1ncccn1
    InChI
    InChI=1S/C22H22F3N7O/c1-2-14-20(29-12-17(30-14)22(23,24)25)31-15-7-3-8-16(15)32-21(33)18-13(6-4-9-26-18)19-27-10-5-11-28-19/h4-6,9-12,15-16H,2-3,7-8H2,1H3,(H,29,31)(H,32,33)/t15-,16-/m0/s1
    MOLECULAR FORMULA
    C22H22F3N7O
    CROSS REFERENCES
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    canSAR1596675

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.18
    AlogP 3.67
    HBond donors 2
    HBond acceptors 8
    Atoms 55
    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 canSAR1596675.