canSAR818385
FEATURES
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NAMES
    SMILES
    CC(=O)Oc1cc(C(=O)Oc2cc3c(c(C)c2C)O[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC3)cc(OC(C)=O)c1OC(C)=O
    InChI
    InChI=1S/C41H52O9/c1-25(2)14-11-15-26(3)16-12-17-27(4)18-13-20-41(10)21-19-33-22-35(28(5)29(6)38(33)50-41)49-40(45)34-23-36(46-30(7)42)39(48-32(9)44)37(24-34)47-31(8)43/h14,16,18,22-24H,11-13,15,17,19-21H2,1-10H3/b26-16+,27-18+/t41-/m1/s1
    MOLECULAR FORMULA
    C41H52O9
    CROSS REFERENCES
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    canSAR818385
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight688.36
    AlogP9.58
    HBond donors0
    HBond acceptors9
    Atoms102
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR818385.