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canSAR462990
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NAMES
    SMILES
    CC(C)c1ccc(C2Nc3ccc(C(=O)O)cc3C3C=CCC32)cc1
    InChI
    InChI=1S/C22H23NO2/c1-13(2)14-6-8-15(9-7-14)21-18-5-3-4-17(18)19-12-16(22(24)25)10-11-20(19)23-21/h3-4,6-13,17-18,21,23H,5H2,1-2H3,(H,24,25)
    MOLECULAR FORMULA
    C22H23NO2
    CROSS REFERENCES
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    canSAR462990

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 333.17
    AlogP 5.33
    HBond donors 2
    HBond acceptors 3
    Atoms 48
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR462990.