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canSAR1015965
FEATURES
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NAMES
    SMILES
    Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(Br)cc1
    InChI
    InChI=1S/C21H19BrN2O3/c1-13-12-15(21(23)27)4-9-18(13)24-17(8-11-20(25)26)7-10-19(24)14-2-5-16(22)6-3-14/h2-7,9-10,12H,8,11H2,1H3,(H2,23,27)(H,25,26)
    MOLECULAR FORMULA
    C21H19BrN2O3
    CROSS REFERENCES
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    canSAR1015965

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.06
    AlogP 4.33
    HBond donors 3
    HBond acceptors 5
    Atoms 46
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1015965.