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canSAR1059436
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CCN(C)C)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O
    InChI
    InChI=1S/C40H68N2O7/c1-24-21-26(34(36(5,6)45)47-25(2)43)48-32-31(24)37(7)15-16-40-23-39(40)14-13-29(49-30-22-42(19-20-46-30)18-17-41(9)10)35(3,4)27(39)11-12-28(40)38(37,8)33(32)44/h24,26-34,44-45H,11-23H2,1-10H3/t24-,26-,27+,28+,29+,30+,31+,32+,33+,34+,37-,38-,39-,40+/m1/s1
    MOLECULAR FORMULA
    C40H68N2O7
    CROSS REFERENCES
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    canSAR1059436

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 688.50
    AlogP 5.11
    HBond donors 2
    HBond acceptors 9
    Atoms 117
    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 canSAR1059436.