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canSAR1207160
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NAMES
    SMILES
    N#C/C(=C\C(=C1/NCCN1Cc1cnc(Cl)s1)[N+](=O)[O-])C(=O)c1c[nH]c2ccccc12
    InChI
    InChI=1S/C20H15ClN6O3S/c21-20-25-9-13(31-20)11-26-6-5-23-19(26)17(27(29)30)7-12(8-22)18(28)15-10-24-16-4-2-1-3-14(15)16/h1-4,7,9-10,23-24H,5-6,11H2/b12-7+,19-17-
    MOLECULAR FORMULA
    C20H15ClN6O3S
    CROSS REFERENCES
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    canSAR1207160

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.06
    AlogP 3.46
    HBond donors 2
    HBond acceptors 9
    Atoms 46
    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 canSAR1207160.