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canSAR726166
FEATURES
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NAMES
    SMILES
    Cc1ccc2oc(=O)cc(COc3ccc(-c4cc(-c5ccccc5)nc(S)n4)cc3)c2c1
    InChI
    InChI=1S/C27H20N2O3S/c1-17-7-12-25-22(13-17)20(14-26(30)32-25)16-31-21-10-8-19(9-11-21)24-15-23(28-27(33)29-24)18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H,28,29,33)
    MOLECULAR FORMULA
    C27H20N2O3S
    CROSS REFERENCES
    726166 logo

    canSAR726166

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.12
    AlogP 6.09
    HBond donors 0
    HBond acceptors 5
    Atoms 53
    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 canSAR726166.