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canSAR848332
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NAMES
    SMILES
    CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3c(OCc4ccccc4)cccc13)C2
    InChI
    InChI=1S/C25H30N4O2/c1-28-19-10-6-11-20(28)15-18(14-19)26-25(30)23-21-12-7-13-22(24(21)29(2)27-23)31-16-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-20H,6,10-11,14-16H2,1-2H3,(H,26,30)/t19-,20-/m0/s1
    MOLECULAR FORMULA
    C25H30N4O2
    CROSS REFERENCES
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    canSAR848332

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.24
    AlogP 3.90
    HBond donors 1
    HBond acceptors 6
    Atoms 61
    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 canSAR848332.