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canSAR650411
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NAMES
    SMILES
    CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)Nc3cccc4ccccc34)cc(C)c2O1
    InChI
    InChI=1S/C38H47NO3/c1-27(2)13-9-14-28(3)15-10-16-29(4)17-12-23-38(6)24-22-32-26-33(25-30(5)36(32)42-38)41-37(40)39-35-21-11-19-31-18-7-8-20-34(31)35/h7-8,11,13,15,17-21,25-26H,9-10,12,14,16,22-24H2,1-6H3,(H,39,40)/b28-15+,29-17+/t38-/m1/s1
    MOLECULAR FORMULA
    C38H47NO3
    CROSS REFERENCES
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    canSAR650411

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 565.36
    AlogP 11.04
    HBond donors 1
    HBond acceptors 4
    Atoms 89
    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 canSAR650411.