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canSAR645844
FEATURES
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NAMES
    SMILES
    COc1ccc(C[P+]2(c3ccccc3)CCCCC2)cc1.O=[N+]([O-])c1ccc(C[P+]2(c3ccccc3)CCCCC2)cc1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
    InChI
    InChI=1S/C19H24OP.C18H21NO2P.2ClHO4/c1-20-18-12-10-17(11-13-18)16-21(14-6-3-7-15-21)19-8-4-2-5-9-19;20-19(21)17-11-9-16(10-12-17)15-22(13-5-2-6-14-22)18-7-3-1-4-8-18;2*2-1(3,4)5/h2,4-5,8-13H,3,6-7,14-16H2,1H3;1,3-4,7-12H,2,5-6,13-15H2;2*(H,2,3,4,5)/q2*+1;;/p-2
    MOLECULAR FORMULA
    C37H45Cl2NO11P2
    CROSS REFERENCES
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    canSAR645844

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 811.18
    AlogP -0.17
    HBond donors 0
    HBond acceptors 12
    Atoms 98
    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 canSAR645844.