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canSAR560885
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCCCCCCCOC(=O)P(=O)([O-])OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-].[NH4+]
    InChI
    InChI=1S/C33H58N5O8P.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44-33(41)47(42,43)45-26-29-28(36-37-34)24-30(46-29)38-25-27(2)31(39)35-32(38)40;/h25,28-30H,3-24,26H2,1-2H3,(H,42,43)(H,35,39,40);1H3
    MOLECULAR FORMULA
    C33H61N6O8P
    CROSS REFERENCES
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    canSAR560885

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 700.43
    AlogP 8.72
    HBond donors 5
    HBond acceptors 14
    Atoms 109
    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 canSAR560885.