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canSAR1530270
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NAMES
    SMILES
    COc1nc(NCCc2ccc(OC(F)F)cc2)nc(-c2ccc(Cl)c(C(C)(C)O)c2)n1
    InChI
    InChI=1S/C22H23ClF2N4O3/c1-22(2,30)16-12-14(6-9-17(16)23)18-27-20(29-21(28-18)31-3)26-11-10-13-4-7-15(8-5-13)32-19(24)25/h4-9,12,19,30H,10-11H2,1-3H3,(H,26,27,28,29)
    MOLECULAR FORMULA
    C22H23ClF2N4O3
    CROSS REFERENCES
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    canSAR1530270

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 464.14
    AlogP 4.68
    HBond donors 2
    HBond acceptors 7
    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 canSAR1530270.