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canSAR652504
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NAMES
    SMILES
    O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2ccccc2F)nc2cc3c(cc12)OCO3
    InChI
    InChI=1S/C27H23Cl2FN4O3/c28-9-11-34(12-10-29)18-7-5-17(6-8-18)31-27(35)33-23-14-22(19-3-1-2-4-21(19)30)32-24-15-26-25(13-20(23)24)36-16-37-26/h1-8,13-15H,9-12,16H2,(H2,31,32,33,35)
    MOLECULAR FORMULA
    C27H23Cl2FN4O3
    CROSS REFERENCES
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    canSAR652504

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 540.11
    AlogP 6.70
    HBond donors 2
    HBond acceptors 7
    Atoms 60
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR652504.