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canSAR928851
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NAMES
    SMILES
    O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(CC(O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1
    InChI
    InChI=1S/C30H28F3N7O4/c31-22-6-8-24(25(32)15-22)30(42,18-39-20-34-19-35-39)17-37-11-13-38(14-12-37)28-9-7-23(16-26(28)33)36-29(41)10-5-21-3-1-2-4-27(21)40(43)44/h1-10,15-16,19-20,42H,11-14,17-18H2,(H,36,41)/b10-5+
    MOLECULAR FORMULA
    C30H28F3N7O4
    CROSS REFERENCES
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    canSAR928851

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 607.22
    AlogP 3.97
    HBond donors 2
    HBond acceptors 11
    Atoms 72
    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 canSAR928851.