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canSAR1408936
FEATURES
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NAMES
    SMILES
    CCC(C)NCCOc1ccc(Br)cc1.O=C(O)C(=O)O
    InChI
    InChI=1S/C12H18BrNO.C2H2O4/c1-3-10(2)14-8-9-15-12-6-4-11(13)5-7-12;3-1(4)2(5)6/h4-7,10,14H,3,8-9H2,1-2H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C14H20BrNO5
    CROSS REFERENCES
    1408936 logo

    canSAR1408936

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 361.05
    AlogP 2.37
    HBond donors 3
    HBond acceptors 6
    Atoms 41
    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 canSAR1408936.