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canSAR792158
FEATURES
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NAMES
    SMILES
    CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C(N)=O)=C[C@]3(C)CC[C@@H]12
    InChI
    InChI=1S/C20H22N2O3/c1-18(2)14-5-6-19(3)9-12(17(22)25)13(23)7-15(19)20(14,4)8-11(10-21)16(18)24/h7-9,14H,5-6H2,1-4H3,(H2,22,25)/t14-,19-,20-/m0/s1
    MOLECULAR FORMULA
    C20H22N2O3
    CROSS REFERENCES
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    canSAR792158

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 338.16
    AlogP 2.39
    HBond donors 2
    HBond acceptors 5
    Atoms 47
    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 canSAR792158.