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canSAR832823
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NAMES
    SMILES
    COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)NC(CO)(CO)CO)OC3=O
    InChI
    InChI=1S/C27H37NO10/c1-17(21(33)28-25(14-29,15-30)16-31)6-5-10-24(3)20-9-12-26(23(35)38-24)11-7-19(22(34)36-4)8-13-27(20,26)37-18(2)32/h5-7,10,20,29-31H,8-9,11-16H2,1-4H3,(H,28,33)/b10-5+,17-6+/t20-,24+,26+,27-/m0/s1
    MOLECULAR FORMULA
    C27H37NO10
    CROSS REFERENCES
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    canSAR832823

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 535.24
    AlogP 0.62
    HBond donors 4
    HBond acceptors 11
    Atoms 75
    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 canSAR832823.