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canSAR1863740
FEATURES
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NAMES
    SMILES
    CNCCc1c[nH]c2ccc(O)cc12.O=C(O)C(=O)O
    InChI
    InChI=1S/C11H14N2O.C2H2O4/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11;3-1(4)2(5)6/h2-3,6-7,12-14H,4-5H2,1H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C13H16N2O5
    CROSS REFERENCES
    1863740 logo

    canSAR1863740

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 280.11
    AlogP 0.79
    HBond donors 5
    HBond acceptors 7
    Atoms 36
    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 canSAR1863740.