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canSAR1126312
FEATURES
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NAMES
    SMILES
    CCC(C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C3O[C@@H](C(C)(C)O)C[C@]3(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O
    InChI
    InChI=1S/C36H54O5/c1-12-25(8)29(37)36-30(38)27(18-16-24(6)7)31-35(32(36)39,21-28(41-31)33(9,10)40)20-26(17-15-23(4)5)34(36,11)19-13-14-22(2)3/h14-16,25-26,28,40H,12-13,17-21H2,1-11H3/t25?,26-,28+,34+,35-,36-/m0/s1
    MOLECULAR FORMULA
    C36H54O5
    CROSS REFERENCES
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    canSAR1126312

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 566.40
    AlogP 8.03
    HBond donors 1
    HBond acceptors 5
    Atoms 95
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1126312.