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canSAR931660
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NAMES
    SMILES
    COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CNCCCCCCCCN)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
    InChI
    InChI=1S/C41H68N2O5/c1-36(2)31-15-18-41(7)34(39(31,5)17-16-32(36)48-33(45)27-43-24-14-12-10-9-11-13-23-42)30(44)25-28-29-26-38(4,35(46)47-8)20-19-37(29,3)21-22-40(28,41)6/h25,29,31-32,34,43H,9-24,26-27,42H2,1-8H3/t29-,31-,32-,34+,37+,38-,39-,40+,41+/m0/s1
    MOLECULAR FORMULA
    C41H68N2O5
    CROSS REFERENCES
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    canSAR931660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 668.51
    AlogP 7.94
    HBond donors 3
    HBond acceptors 7
    Atoms 116
    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 canSAR931660.