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canSAR1725908
FEATURES
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NAMES
    SMILES
    Cc1ccccc1C(OCCN(C(C)C)C(C)C)c1ccccc1.O=C(O)/C=C\C(=O)O
    InChI
    InChI=1S/C22H31NO.C4H4O4/c1-17(2)23(18(3)4)15-16-24-22(20-12-7-6-8-13-20)21-14-10-9-11-19(21)5;5-3(6)1-2-4(7)8/h6-14,17-18,22H,15-16H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
    MOLECULAR FORMULA
    C26H35NO5
    CROSS REFERENCES
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    canSAR1725908

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.25
    AlogP 4.93
    HBond donors 2
    HBond acceptors 6
    Atoms 67
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1725908.