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canSAR840425
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NAMES
    SMILES
    C=C1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)/C(C)=C\C)/C=C(\C)CCC1=O
    InChI
    InChI=1S/C20H24O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6,9,16-18H,4-5,7-8,10H2,1-3H3/b11-9+,12-6-/t16-,17+,18+/m1/s1
    MOLECULAR FORMULA
    C20H24O5
    CROSS REFERENCES
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    canSAR840425

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 344.16
    AlogP 3.22
    HBond donors 0
    HBond acceptors 5
    Atoms 49
    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 canSAR840425.