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canSAR1830857
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NAMES
    SMILES
    O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(CNc1nccc(C(F)(F)F)n1)C2
    InChI
    InChI=1S/C21H19F4N7O/c22-13-1-3-17(32-28-7-8-29-32)15(10-13)19(33)31-14-2-4-16(31)12(9-14)11-27-20-26-6-5-18(30-20)21(23,24)25/h1,3,5-8,10,12,14,16H,2,4,9,11H2,(H,26,27,30)
    MOLECULAR FORMULA
    C21H19F4N7O
    CROSS REFERENCES
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    canSAR1830857

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 461.16
    AlogP 3.32
    HBond donors 1
    HBond acceptors 8
    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 canSAR1830857.