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canSAR1127282
FEATURES
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NAMES
    SMILES
    C=C1[C@@H](OC(C)=O)[C@@H](O)[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@](C)(O)[C@@H](OC(C)=O)CC[C@@](C)(OC(=O)CCC)[C@@H]2O1
    InChI
    InChI=1S/C28H44O9/c1-9-10-20(31)37-28(8)12-11-19(34-16(5)29)27(7,33)13-18-22-15(4)25(35-17(6)30)24(32)21(14(2)3)23(22)26(28)36-18/h14,18-19,21-26,32-33H,4,9-13H2,1-3,5-8H3/t18-,19+,21-,22-,23-,24+,25-,26-,27+,28-/m1/s1
    MOLECULAR FORMULA
    C28H44O9
    CROSS REFERENCES
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    canSAR1127282

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 524.30
    AlogP 3.09
    HBond donors 2
    HBond acceptors 9
    Atoms 81
    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 canSAR1127282.