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canSAR1059973
FEATURES
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NAMES
    SMILES
    CCO[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(CCC(=O)O)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O
    InChI
    InChI=1S/C39H65NO8/c1-9-45-33(35(5,6)44)24-20-23(2)30-31(47-24)32(43)37(8)26-11-10-25-34(3,4)27(48-29-21-40(18-19-46-29)17-13-28(41)42)12-14-38(25)22-39(26,38)16-15-36(30,37)7/h23-27,29-33,43-44H,9-22H2,1-8H3,(H,41,42)/t23-,24-,25+,26+,27+,29+,30+,31+,32+,33+,36-,37-,38-,39+/m1/s1
    MOLECULAR FORMULA
    C39H65NO8
    CROSS REFERENCES
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    canSAR1059973

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 675.47
    AlogP 5.49
    HBond donors 3
    HBond acceptors 9
    Atoms 113
    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 canSAR1059973.