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canSAR78298
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NAMES
    SMILES
    COc1ccc(C[C@@H]2CCCN2C[C@@H](O)COc2cccc(Cl)c2C#N)cc1OC
    InChI
    InChI=1S/C23H27ClN2O4/c1-28-22-9-8-16(12-23(22)29-2)11-17-5-4-10-26(17)14-18(27)15-30-21-7-3-6-20(24)19(21)13-25/h3,6-9,12,17-18,27H,4-5,10-11,14-15H2,1-2H3/t17-,18+/m0/s1
    MOLECULAR FORMULA
    C23H27ClN2O4
    CROSS REFERENCES
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    canSAR78298

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.17
    AlogP 3.68
    HBond donors 1
    HBond acceptors 6
    Atoms 57
    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 canSAR78298.