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canSAR1151787
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NAMES
    SMILES
    Cc1nnc(SCC(=O)N/N=c2/scc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)s1
    InChI
    InChI=1S/C20H16N6O3S3/c1-13-21-24-20(32-13)31-12-18(27)22-23-19-25(15-5-3-2-4-6-15)17(11-30-19)14-7-9-16(10-8-14)26(28)29/h2-11H,12H2,1H3,(H,22,27)/b23-19+
    MOLECULAR FORMULA
    C20H16N6O3S3
    CROSS REFERENCES
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    canSAR1151787

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.04
    AlogP 4.00
    HBond donors 1
    HBond acceptors 9
    Atoms 48
    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 canSAR1151787.