canSAR823688
FEATURES
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NAMES
    SMILES
    C=C(C)[C@H]1C(=O)c2c3c(cc4c2C1C1=C4CC2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)C1C3=O
    InChI
    InChI=1S/C45H55NO5/c1-22(2)31-34-32-25(20-26-28-21-41(4,5)51-42(6,7)37(28)39(49)33(26)35(32)38(31)48)27-19-24-14-15-29-43(8,17-12-13-23(3)40(50)46-11)30(47)16-18-44(29,9)45(24,10)36(27)34/h12-13,17,20-21,24,29-31,34,37,47H,1,14-16,18-19H2,2-11H3,(H,46,50)/b17-12+,23-13+/t24?,29-,30-,31+,34?,37?,43-,44-,45+/m0/s1
    MOLECULAR FORMULA
    C45H55NO5
    CROSS REFERENCES
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    canSAR823688
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight689.41
    AlogP8.56
    HBond donors2
    HBond acceptors6
    Atoms106
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823688.