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canSAR46413
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NAMES
    SMILES
    CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2CN(C(CC3CCC3)C(=O)O)CC2c2cccc(F)c2)CC1
    InChI
    InChI=1S/C35H44FN3O3/c1-2-31-34(42-33(37-31)19-25-8-4-3-5-9-25)26-14-16-38(17-15-26)21-28-22-39(32(35(40)41)18-24-10-6-11-24)23-30(28)27-12-7-13-29(36)20-27/h3-5,7-9,12-13,20,24,26,28,30,32H,2,6,10-11,14-19,21-23H2,1H3,(H,40,41)/t28-,30?,32?/m0/s1
    MOLECULAR FORMULA
    C35H44FN3O3
    CROSS REFERENCES
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    canSAR46413

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 573.34
    AlogP 6.51
    HBond donors 1
    HBond acceptors 6
    Atoms 86
    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 canSAR46413.