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canSAR1067459
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@H](O[C@@H]3C[C@@H](O)[C@H](O)[C@H](CO)O3)CC1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O
    InChI
    InChI=1S/C29H44O8/c1-27-8-5-18(36-25-13-22(31)26(33)23(14-30)37-25)12-17(27)3-4-21-20(27)6-9-28(2)19(7-10-29(21,28)34)16-11-24(32)35-15-16/h11,17-23,25-26,30-31,33-34H,3-10,12-15H2,1-2H3/t17?,18-,19+,20-,21+,22+,23-,25-,26-,27-,28+,29+/m0/s1
    MOLECULAR FORMULA
    C29H44O8
    CROSS REFERENCES
    1067459 logo

    canSAR1067459

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.30
    AlogP 2.46
    HBond donors 4
    HBond acceptors 8
    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 canSAR1067459.