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canSAR1715890
FEATURES
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NAMES
    SMILES
    O=C(O[C@H]1[C@H](Cc2ccccc2)N[S+](=O)([O-])[C@H]2C[C@@H]3C=C[C@]12O3)c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C22H20N2O7S/c25-21(15-6-8-16(9-7-15)24(26)27)30-20-18(12-14-4-2-1-3-5-14)23-32(28,29)19-13-17-10-11-22(19,20)31-17/h1-11,17-20H,12-13H2,(H-,23,28,29)/t17-,18-,19-,20-,22+/m0/s1
    MOLECULAR FORMULA
    C22H20N2O7S
    CROSS REFERENCES
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    canSAR1715890

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.10
    AlogP 2.35
    HBond donors 1
    HBond acceptors 9
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1715890.