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canSAR992842
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NAMES
    SMILES
    CCOP(=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)[O-])c1
    InChI
    InChI=1S/C42H56FN4O7P/c1-6-53-55(43,52)26-16-11-9-7-8-10-13-17-39(48)44-24-14-12-15-25-45-41(49)30-18-21-33(36(27-30)42(50)51)40-34-22-19-31(46(2)3)28-37(34)54-38-29-32(47(4)5)20-23-35(38)40/h18-23,27-29H,6-17,24-26H2,1-5H3,(H2-,44,45,48,49,50,51)
    MOLECULAR FORMULA
    C42H56FN4O7P
    CROSS REFERENCES
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    canSAR992842

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 778.39
    AlogP 7.00
    HBond donors 2
    HBond acceptors 11
    Atoms 111
    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 canSAR992842.