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canSAR1594179
FEATURES
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NAMES
    SMILES
    CCCCCCCCO[C@@H]1O[C@@H](C)[C@H](OC(=O)CCCCC)[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3O)[C@H]2OC(C)=O)[C@H]1O
    InChI
    InChI=1S/C44H74O21/c1-10-12-14-15-16-18-20-54-41-32(52)37(35(23(5)56-41)62-28(48)19-17-13-11-2)64-44-40(61-27(9)47)39(36(24(6)58-44)60-26(8)46)65-43-33(53)38(34(22(4)57-43)59-25(7)45)63-42-31(51)30(50)29(49)21(3)55-42/h21-24,29-44,49-53H,10-20H2,1-9H3/t21-,22-,23-,24-,29-,30+,31+,32+,33+,34-,35-,36-,37-,38-,39+,40+,41+,42-,43-,44-/m0/s1
    MOLECULAR FORMULA
    C44H74O21
    CROSS REFERENCES
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    canSAR1594179

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 938.47
    AlogP 1.59
    HBond donors 5
    HBond acceptors 21
    Atoms 139
    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 canSAR1594179.