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canSAR846712
FEATURES
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NAMES
    SMILES
    C=C(C(CC(O)C(C)(C)O)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)[C@@H](O)[C@H]1OC(=O)/C(C)=C\C
    InChI
    InChI=1S/C25H38O8/c1-9-13(3)22(28)31-17(12-18(26)24(6,7)30)15(5)16-11-19-25(8,33-19)21(27)20(16)32-23(29)14(4)10-2/h9-10,16-21,26-27,30H,5,11-12H2,1-4,6-8H3/b13-9-,14-10-/t16-,17?,18?,19-,20+,21+,25-/m1/s1
    MOLECULAR FORMULA
    C25H38O8
    CROSS REFERENCES
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    canSAR846712

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.26
    AlogP 2.36
    HBond donors 3
    HBond acceptors 8
    Atoms 71
    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 canSAR846712.