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canSAR1504998
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NAMES
    SMILES
    COc1cc2cc(CN(Cc3cccs3)C(S)=Nc3ccccc3)c(O)nc2cc1OC
    InChI
    InChI=1S/C24H23N3O3S2/c1-29-21-12-16-11-17(23(28)26-20(16)13-22(21)30-2)14-27(15-19-9-6-10-32-19)24(31)25-18-7-4-3-5-8-18/h3-13H,14-15H2,1-2H3,(H,25,31)(H,26,28)
    MOLECULAR FORMULA
    C24H23N3O3S2
    CROSS REFERENCES
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    canSAR1504998

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 465.12
    AlogP 5.64
    HBond donors 1
    HBond acceptors 6
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1504998.