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canSAR1018082
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NAMES
    SMILES
    O=C(O)/C=C/c1cn(Cc2cccc3ccccc23)c2ccccc12
    InChI
    InChI=1S/C22H17NO2/c24-22(25)13-12-18-15-23(21-11-4-3-10-20(18)21)14-17-8-5-7-16-6-1-2-9-19(16)17/h1-13,15H,14H2,(H,24,25)/b13-12+
    MOLECULAR FORMULA
    C22H17NO2
    CROSS REFERENCES
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    canSAR1018082

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 327.13
    AlogP 4.94
    HBond donors 1
    HBond acceptors 3
    Atoms 42
    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 canSAR1018082.