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canSAR990732
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NAMES
    SMILES
    CC1=C(c2nnc(/N=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)s2)C(c2ccccc2)NC(=S)N1
    InChI
    InChI=1S/C21H15N7O3S2/c1-10-15(16(24-20(32)22-10)11-5-3-2-4-6-11)19-26-27-21(33-19)25-17-13-9-12(28(30)31)7-8-14(13)23-18(17)29/h2-9,16H,1H3,(H2,22,24,32)(H,23,25,27,29)
    MOLECULAR FORMULA
    C21H15N7O3S2
    CROSS REFERENCES
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    canSAR990732

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.07
    AlogP 3.47
    HBond donors 3
    HBond acceptors 10
    Atoms 48
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR990732.