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canSAR790832
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H]1O[C@@H](C2=CC(=O)OC2O)C[C@@H]2[C@@H]1CCC1[C@@]3(C)CCCC(C)(C)C3CC[C@]12C
    InChI
    InChI=1S/C27H40O6/c1-15(28)31-24-16-7-8-21-26(4,12-9-20-25(2,3)10-6-11-27(20,21)5)18(16)14-19(32-24)17-13-22(29)33-23(17)30/h13,16,18-21,23-24,30H,6-12,14H2,1-5H3/t16-,18+,19+,20?,21?,23?,24-,26-,27-/m0/s1
    MOLECULAR FORMULA
    C27H40O6
    CROSS REFERENCES
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    canSAR790832

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.28
    AlogP 4.74
    HBond donors 1
    HBond acceptors 6
    Atoms 73
    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 canSAR790832.