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canSAR140476
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NAMES
    SMILES
    CCCCCCCC/C=C\CCCCCCC/C=C1\C[C@](/C=C2/CCOC2=O)(CO)OC1=O
    InChI
    InChI=1S/C28H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-21-28(23-29,33-27(24)31)22-25-19-20-32-26(25)30/h9-10,18,22,29H,2-8,11-17,19-21,23H2,1H3/b10-9-,24-18+,25-22-/t28-/m0/s1
    MOLECULAR FORMULA
    C28H44O5
    CROSS REFERENCES
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    canSAR140476

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.32
    AlogP 6.50
    HBond donors 1
    HBond acceptors 5
    Atoms 77
    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 canSAR140476.