canSAR545546
FEATURES
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NAMES
    SMILES
    COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(Cl)cc2)CC1.O=C(O)C(=O)O
    InChI
    InChI=1S/C24H30ClN3O2.C2H2O4/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20;3-1(4)2(5)6/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29);(H,3,4)(H,5,6)/b13-10+;
    MOLECULAR FORMULA
    C26H32ClN3O6
    CROSS REFERENCES
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    canSAR545546
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight517.20
    AlogP3.24
    HBond donors3
    HBond acceptors9
    Atoms68
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR545546.