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canSAR1688672
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NAMES
    SMILES
    COc1cc(CN=Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1O
    InChI
    InChI=1S/C21H17N3O5S/c1-27-17-7-12(8-18(28-2)19(17)25)10-22-24-21-23-15(11-30-21)14-9-13-5-3-4-6-16(13)29-20(14)26/h3-9,11,25H,10H2,1-2H3
    MOLECULAR FORMULA
    C21H17N3O5S
    CROSS REFERENCES
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    canSAR1688672

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.09
    AlogP 4.92
    HBond donors 1
    HBond acceptors 8
    Atoms 47
    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 canSAR1688672.