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canSAR1826482
FEATURES
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NAMES
    SMILES
    Cc1cc(C(=O)O[C@H]2[C@H](C)N[S+](=O)([O-])[C@H]3C[C@H]4C=C[C@]23O4)cc([N+](=O)[O-])c1
    InChI
    InChI=1S/C17H18N2O7S/c1-9-5-11(7-12(6-9)19(21)22)16(20)25-15-10(2)18-27(23,24)14-8-13-3-4-17(14,15)26-13/h3-7,10,13-15H,8H2,1-2H3,(H-,18,23,24)/t10-,13+,14-,15-,17+/m0/s1
    MOLECULAR FORMULA
    C17H18N2O7S
    CROSS REFERENCES
    1826482 logo

    canSAR1826482

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.08
    AlogP 1.43
    HBond donors 1
    HBond acceptors 9
    Atoms 45
    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 canSAR1826482.