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canSAR565242
FEATURES
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NAMES
    SMILES
    O=P1([O-])OC2C3OP(=O)([O-])OP(=O)([O-])OC3C3OP(=O)([O-])OP(=O)([O-])OC3C2OP(=O)([O-])O1.[Ca+2].[Ca+2].[Ca+2]
    InChI
    InChI=1S/C6H12O21P6.3Ca/c7-28(8)19-1-2(20-29(9,10)25-28)4-6(24-33(17,18)27-32(15,16)23-4)5-3(1)21-30(11,12)26-31(13,14)22-5;;;/h1-6H,(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;/q;3*+2/p-6
    MOLECULAR FORMULA
    C6H6Ca3O21P6
    CROSS REFERENCES
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    canSAR565242

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 719.67
    AlogP -4.93
    HBond donors 0
    HBond acceptors 21
    Atoms 42
    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 canSAR565242.