canSAR855721
FEATURES
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NAMES
    SMILES
    O=C1N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2O)c2cc3c(c(OP(=O)([O-])OCc4ccccc4)c21)OCO3.[Na+]
    InChI
    InChI=1S/C21H20NO10P.Na/c23-13-6-12-11-7-14-19(30-9-29-14)20(15(11)21(26)22-16(12)18(25)17(13)24)32-33(27,28)31-8-10-4-2-1-3-5-10;/h1-7,13,16-18,23-25H,8-9H2,(H,22,26)(H,27,28);/q;+1/p-1/t13-,16+,17+,18-;/m0./s1
    MOLECULAR FORMULA
    C21H19NNaO10P
    CROSS REFERENCES
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    canSAR855721
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight499.06
    AlogP-2.92
    HBond donors4
    HBond acceptors11
    Atoms53
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR855721.