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canSAR400420
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NAMES
    SMILES
    C[C@]12CCC3C(CCC4=C(O)C(=O)CC[C@@]43C(F)F)C1CCC2=O
    InChI
    InChI=1S/C19H24F2O3/c1-18-8-6-12-10(11(18)4-5-15(18)23)2-3-13-16(24)14(22)7-9-19(12,13)17(20)21/h10-12,17,24H,2-9H2,1H3/t10?,11?,12?,18-,19-/m0/s1
    MOLECULAR FORMULA
    C19H24F2O3
    CROSS REFERENCES
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    canSAR400420

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 338.17
    AlogP 4.22
    HBond donors 1
    HBond acceptors 3
    Atoms 48
    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 canSAR400420.