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canSAR1767339
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@@H]1C[C@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)O
    InChI
    InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20+/t18-,21-,22+,23+,24+,25+,27-,29-,30-,31+/m0/s1
    MOLECULAR FORMULA
    C31H48O6
    CROSS REFERENCES
    1767339 logo

    canSAR1767339

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.35
    AlogP 5.67
    HBond donors 3
    HBond acceptors 6
    Atoms 85
    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 canSAR1767339.