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canSAR1066341
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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]5CNCCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O
    InChI
    InChI=1S/C36H61NO6/c1-9-40-30(32(5,6)39)22-18-21(2)27-28(42-22)29(38)34(8)24-11-10-23-31(3,4)25(43-26-19-37-16-17-41-26)12-13-35(23)20-36(24,35)15-14-33(27,34)7/h21-30,37-39H,9-20H2,1-8H3/t21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,33-,34-,35-,36+/m1/s1
    MOLECULAR FORMULA
    C36H61NO6
    CROSS REFERENCES
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    canSAR1066341

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 603.45
    AlogP 5.31
    HBond donors 3
    HBond acceptors 7
    Atoms 104
    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 canSAR1066341.