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canSAR1101053
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NAMES
    SMILES
    COc1cc(/C=C2\CCC/C(=C\c3ccc(F)cc3)C2=O)cc(OC)c1
    InChI
    InChI=1S/C22H21FO3/c1-25-20-12-16(13-21(14-20)26-2)11-18-5-3-4-17(22(18)24)10-15-6-8-19(23)9-7-15/h6-14H,3-5H2,1-2H3/b17-10+,18-11+
    MOLECULAR FORMULA
    C22H21FO3
    CROSS REFERENCES
    1101053 logo

    canSAR1101053

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 352.15
    AlogP 5.06
    HBond donors 0
    HBond acceptors 3
    Atoms 47
    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 canSAR1101053.