canSAR1647313
FEATURES
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NAMES
    SMILES
    CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccc(O)c(O)c3)C(=O)[C@](CC=C(C)C)(C2=O)[C@]1(C)CC=C(C)C
    InChI
    InChI=1S/C37H48O6/c1-22(2)10-12-27-21-36(18-15-24(5)6)32(41)30(31(40)26-11-13-28(38)29(39)20-26)33(42)37(34(36)43,19-16-25(7)8)35(27,9)17-14-23(3)4/h10-11,13-16,20,27,30,38-39H,12,17-19,21H2,1-9H3/t27-,30?,35+,36-,37+/m0/s1
    MOLECULAR FORMULA
    C37H48O6
    CROSS REFERENCES
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    canSAR1647313
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight588.35
    AlogP8.04
    HBond donors2
    HBond acceptors6
    Atoms91
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1647313.