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canSAR1012800
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NAMES
    SMILES
    CC(C)=CC/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C
    InChI
    InChI=1S/C30H50O2/c1-19(2)10-9-11-20(3)21-12-16-30(8)26(21)22(31)18-24-28(6)15-14-25(32)27(4,5)23(28)13-17-29(24,30)7/h10-11,21-26,31-32H,9,12-18H2,1-8H3/b20-11+/t21-,22-,23+,24-,25+,26+,28+,29-,30-/m1/s1
    MOLECULAR FORMULA
    C30H50O2
    CROSS REFERENCES
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    canSAR1012800

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.38
    AlogP 7.31
    HBond donors 2
    HBond acceptors 2
    Atoms 82
    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 canSAR1012800.