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canSAR1068818
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NAMES
    SMILES
    COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3/C(=N/NC(=S)Nc4ccccc4)C[C@@H]4C/C(=N/NC(=S)Nc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C39H52N6O2S2/c1-25(15-18-34(46)47-4)30-16-17-31-35-32(20-22-39(30,31)3)38(2)21-19-29(42-44-36(48)40-27-11-7-5-8-12-27)23-26(38)24-33(35)43-45-37(49)41-28-13-9-6-10-14-28/h5-14,25-26,30-32,35H,15-24H2,1-4H3,(H2,40,44,48)(H2,41,45,49)/b42-29+,43-33+/t25-,26+,30-,31+,32+,35+,38+,39-/m1/s1
    MOLECULAR FORMULA
    C39H52N6O2S2
    CROSS REFERENCES
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    canSAR1068818

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 700.36
    AlogP 8.53
    HBond donors 4
    HBond acceptors 8
    Atoms 101
    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 canSAR1068818.