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canSAR1715914
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NAMES
    SMILES
    COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCC(C)(O)C(=O)O
    InChI
    InChI=1S/C23H20ClN3O6/c1-23(31,22(29)30)12-33-19-8-7-17(10-20(19)32-2)26-13-25-27-11-15(9-18(27)21(26)28)14-3-5-16(24)6-4-14/h3-11,13,31H,12H2,1-2H3,(H,29,30)
    MOLECULAR FORMULA
    C23H20ClN3O6
    CROSS REFERENCES
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    canSAR1715914

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 469.10
    AlogP 3.03
    HBond donors 2
    HBond acceptors 9
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1715914.