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canSAR1126830
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NAMES
    SMILES
    C/C(=N\Nc1nc2ccccc2s1)c1ccc(-c2ccc(C(=O)O)o2)s1
    InChI
    InChI=1S/C18H13N3O3S2/c1-10(20-21-18-19-11-4-2-3-5-15(11)26-18)14-8-9-16(25-14)12-6-7-13(24-12)17(22)23/h2-9H,1H3,(H,19,21)(H,22,23)/b20-10+
    MOLECULAR FORMULA
    C18H13N3O3S2
    CROSS REFERENCES
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    canSAR1126830

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 383.04
    AlogP 5.15
    HBond donors 2
    HBond acceptors 6
    Atoms 39
    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 canSAR1126830.