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canSAR1141737
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OCc6cn(-c7ccc(C#N)cc7)nn6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C40H54N4O3/c1-25(2)29-14-19-40(35(45)46)21-20-38(6)30(34(29)40)12-13-32-37(5)17-16-33(36(3,4)31(37)15-18-39(32,38)7)47-24-27-23-44(43-42-27)28-10-8-26(22-41)9-11-28/h8-11,23,29-34H,1,12-21,24H2,2-7H3,(H,45,46)/t29-,30+,31-,32+,33-,34+,37-,38+,39+,40-/m0/s1
    MOLECULAR FORMULA
    C40H54N4O3
    CROSS REFERENCES
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    canSAR1141737

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 638.42
    AlogP 8.77
    HBond donors 1
    HBond acceptors 7
    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 canSAR1141737.