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canSAR832681
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NAMES
    SMILES
    CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)/C(=N\NC(=S)NC1CCCC1)C[C@]1(C)[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12
    InChI
    InChI=1S/C36H61N3O2S/c1-23(2)11-10-12-24(3)28-15-16-31-34(28,5)20-18-32-35(6)19-17-27(41-25(4)40)21-29(35)30(22-36(31,32)7)38-39-33(42)37-26-13-8-9-14-26/h23-24,26-29,31-32H,8-22H2,1-7H3,(H2,37,39,42)/b38-30-/t24-,27+,28-,29-,31-,32-,34-,35+,36+/m1/s1
    MOLECULAR FORMULA
    C36H61N3O2S
    CROSS REFERENCES
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    canSAR832681

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 599.45
    AlogP 8.80
    HBond donors 2
    HBond acceptors 5
    Atoms 103
    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 canSAR832681.