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canSAR1836328
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NAMES
    SMILES
    COc1ccc(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)C2=O)c(OC)c1
    InChI
    InChI=1S/C21H16BrN3O5/c1-29-13-4-6-17(18(9-13)30-2)25-20(27)15(19(26)24-21(25)28)7-11-10-23-16-5-3-12(22)8-14(11)16/h3-10,23H,1-2H3,(H,24,26,28)/b15-7+
    MOLECULAR FORMULA
    C21H16BrN3O5
    CROSS REFERENCES
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    canSAR1836328

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 469.03
    AlogP 3.61
    HBond donors 2
    HBond acceptors 8
    Atoms 46
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1836328.