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canSAR1428318
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NAMES
    SMILES
    O=C(Nc1cccc(OC(F)(F)F)c1)C1Cc2c(-c3cccc(F)c3)ccnc2O1
    InChI
    InChI=1S/C21H14F4N2O3/c22-13-4-1-3-12(9-13)16-7-8-26-20-17(16)11-18(29-20)19(28)27-14-5-2-6-15(10-14)30-21(23,24)25/h1-10,18H,11H2,(H,27,28)
    MOLECULAR FORMULA
    C21H14F4N2O3
    CROSS REFERENCES
    1428318 logo

    canSAR1428318

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.09
    AlogP 4.73
    HBond donors 1
    HBond acceptors 5
    Atoms 44
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1428318.