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canSAR1068771
FEATURES
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NAMES
    SMILES
    C#C/C=C\C/C=C(/C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]2C(C)CCCC(C)C)[C@@H]1CC(=O)O
    InChI
    InChI=1S/C28H44O2/c1-7-8-9-10-13-21(4)23-17-18-28(6)25(22(5)14-11-12-20(2)3)15-16-26(28)24(23)19-27(29)30/h1,8-9,13,20,22-26H,10-12,14-19H2,2-6H3,(H,29,30)/b9-8-,21-13-/t22?,23-,24-,25-,26+,28-/m1/s1
    MOLECULAR FORMULA
    C28H44O2
    CROSS REFERENCES
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    canSAR1068771

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.33
    AlogP 7.51
    HBond donors 1
    HBond acceptors 2
    Atoms 74
    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 canSAR1068771.