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canSAR1112779
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NAMES
    SMILES
    COC(=O)CSc1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1-c1ccccc1
    InChI
    InChI=1S/C24H18N2O4S/c1-30-21(27)15-31-24-22(16-7-3-2-4-8-16)19-9-5-6-10-20(19)25-23(24)17-11-13-18(14-12-17)26(28)29/h2-14H,15H2,1H3
    MOLECULAR FORMULA
    C24H18N2O4S
    CROSS REFERENCES
    1112779 logo

    canSAR1112779

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.10
    AlogP 5.74
    HBond donors 0
    HBond acceptors 6
    Atoms 49
    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 canSAR1112779.