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canSAR387161
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NAMES
    SMILES
    COc1ccc(-c2nc(CCOc3ccc4c(c3)CC[C@H]4CC(=O)O)c(C)n2C)cc1
    InChI
    InChI=1S/C25H28N2O4/c1-16-23(26-25(27(16)2)17-6-8-20(30-3)9-7-17)12-13-31-21-10-11-22-18(14-21)4-5-19(22)15-24(28)29/h6-11,14,19H,4-5,12-13,15H2,1-3H3,(H,28,29)/t19-/m0/s1
    MOLECULAR FORMULA
    C25H28N2O4
    CROSS REFERENCES
    387161 logo

    canSAR387161

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.20
    AlogP 4.53
    HBond donors 1
    HBond acceptors 6
    Atoms 59
    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 canSAR387161.