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canSAR1969090
FEATURES
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NAMES
    SMILES
    CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@@H]2SC1
    InChI
    InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16+/m1/s1
    MOLECULAR FORMULA
    C17H17N3O6S2
    CROSS REFERENCES
    1969090 logo

    canSAR1969090

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.06
    AlogP 0.48
    HBond donors 2
    HBond acceptors 9
    Atoms 45
    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 canSAR1969090.