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canSAR831054
FEATURES
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NAMES
    SMILES
    C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@@H](C)COCCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1CO
    InChI
    InChI=1S/C29H48O4/c1-20(19-33-15-7-13-28(3,4)32)26-11-12-27-22(8-6-14-29(26,27)5)9-10-23-16-25(31)17-24(18-30)21(23)2/h9-10,20,24-27,30-32H,2,6-8,11-19H2,1,3-5H3/b22-9+,23-10-/t20-,24+,25+,26?,27-,29+/m0/s1
    MOLECULAR FORMULA
    C29H48O4
    CROSS REFERENCES
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    canSAR831054

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.36
    AlogP 5.58
    HBond donors 3
    HBond acceptors 4
    Atoms 81
    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 canSAR831054.