canSAR1417646
FEATURES
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NAMES
    SMILES
    COc1ccc(NC(=O)CN(C)CCOc2ccc(Cl)cc2)cc1OC.O=C(O)C(=O)O
    InChI
    InChI=1S/C19H23ClN2O4.C2H2O4/c1-22(10-11-26-16-7-4-14(20)5-8-16)13-19(23)21-15-6-9-17(24-2)18(12-15)25-3;3-1(4)2(5)6/h4-9,12H,10-11,13H2,1-3H3,(H,21,23);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C21H25ClN2O8
    CROSS REFERENCES
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    canSAR1417646
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight468.13
    AlogP2.46
    HBond donors3
    HBond acceptors10
    Atoms57
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417646.