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canSAR559330
FEATURES
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NAMES
    SMILES
    CN(C)CC#CCOC(=O)Nc1cccc(Br)c1.O=C(O)C(=O)O
    InChI
    InChI=1S/C13H15BrN2O2.C2H2O4/c1-16(2)8-3-4-9-18-13(17)15-12-7-5-6-11(14)10-12;3-1(4)2(5)6/h5-7,10H,8-9H2,1-2H3,(H,15,17);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C15H17BrN2O6
    CROSS REFERENCES
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    canSAR559330

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.03
    AlogP 1.72
    HBond donors 3
    HBond acceptors 8
    Atoms 41
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR559330.