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canSAR2020086
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NAMES
    SMILES
    Brc1cc2c(cc1Cn1c(-c3cncs3)nc3ccccc31)OCO2
    InChI
    InChI=1S/C18H12BrN3O2S/c19-12-6-16-15(23-10-24-16)5-11(12)8-22-14-4-2-1-3-13(14)21-18(22)17-7-20-9-25-17/h1-7,9H,8,10H2
    MOLECULAR FORMULA
    C18H12BrN3O2S
    CROSS REFERENCES
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    canSAR2020086

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.98
    AlogP 4.70
    HBond donors 0
    HBond acceptors 5
    Atoms 37
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2020086.