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canSAR832129
FEATURES
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NAMES
    SMILES
    C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C2=CCO[C@H]12
    InChI
    InChI=1S/C29H44O3/c1-19(8-6-15-28(3,4)31)24-12-13-25-21(9-7-16-29(24,25)5)10-11-22-18-26(30)23-14-17-32-27(23)20(22)2/h10-11,14,19,24-27,30-31H,2,6-9,12-13,15-18H2,1,3-5H3/b21-10+,22-11-/t19-,24-,25+,26-,27-,29-/m1/s1
    MOLECULAR FORMULA
    C29H44O3
    CROSS REFERENCES
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    canSAR832129

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.33
    AlogP 6.28
    HBond donors 2
    HBond acceptors 3
    Atoms 76
    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 canSAR832129.