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canSAR1587711
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O
    InChI
    InChI=1S/C20H17N3O7S/c1-11-4-3-5-13(6-11)21-17(24)10-22-19(26)16(31-20(22)27)9-12-7-14(23(28)29)18(25)15(8-12)30-2/h3-9,25H,10H2,1-2H3,(H,21,24)/b16-9-
    MOLECULAR FORMULA
    C20H17N3O7S
    CROSS REFERENCES
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    canSAR1587711

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 443.08
    AlogP 3.29
    HBond donors 2
    HBond acceptors 10
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1587711.