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canSAR1204666
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NAMES
    SMILES
    O=C(/C=C/C=C/c1ccc2c(c1)OCO2)NC12CC3CC(CC(C3)C1)C2
    InChI
    InChI=1S/C22H25NO3/c24-21(23-22-11-16-7-17(12-22)9-18(8-16)13-22)4-2-1-3-15-5-6-19-20(10-15)26-14-25-19/h1-6,10,16-18H,7-9,11-14H2,(H,23,24)/b3-1+,4-2+
    MOLECULAR FORMULA
    C22H25NO3
    CROSS REFERENCES
    1204666 logo

    canSAR1204666

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 351.18
    AlogP 4.07
    HBond donors 1
    HBond acceptors 4
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1204666.