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canSAR346550
FEATURES
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NAMES
    SMILES
    CC(CC#CC(C)(C)O)CC(C)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C
    InChI
    InChI=1S/C28H46O3/c1-20(10-9-14-26(3,4)31)16-21(2)28(7)15-13-23(27(28,5)6)12-8-11-22-17-24(29)19-25(30)18-22/h8,11-12,20-21,23-25,29-31H,10,13,15-19H2,1-7H3/b12-8+/t20?,21?,23-,24-,25-,28-/m1/s1
    MOLECULAR FORMULA
    C28H46O3
    CROSS REFERENCES
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    canSAR346550

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.34
    AlogP 5.64
    HBond donors 3
    HBond acceptors 3
    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 canSAR346550.