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canSAR747548
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NAMES
    SMILES
    NCCCN(Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1)Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C31H24F10N2O2.C2HF3O2/c32-22-20(23(33)27(37)30(40)26(22)36)14-44-18-6-2-16(3-7-18)12-43(11-1-10-42)13-17-4-8-19(9-5-17)45-15-21-24(34)28(38)31(41)29(39)25(21)35;3-2(4,5)1(6)7/h2-9H,1,10-15,42H2;(H,6,7)
    MOLECULAR FORMULA
    C33H25F13N2O4
    CROSS REFERENCES
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    canSAR747548

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 760.16
    AlogP 8.22
    HBond donors 3
    HBond acceptors 6
    Atoms 77
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR747548.