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canSAR467194
FEATURES
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NAMES
    SMILES
    O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1O
    InChI
    InChI=1S/C18H12ClN3O5S2/c19-12-4-2-1-3-10(12)7-15-17(25)21(18(28)29-15)9-16(24)20-13-6-5-11(22(26)27)8-14(13)23/h1-8,23H,9H2,(H,20,24)/b15-7-
    MOLECULAR FORMULA
    C18H12ClN3O5S2
    CROSS REFERENCES
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    canSAR467194

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.99
    AlogP 3.79
    HBond donors 2
    HBond acceptors 8
    Atoms 41
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR467194.