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canSAR917089
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(C(=O)Nc3ccc(-c4cn(Cc5ccccc5)nn4)cc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C45H58N4O2/c1-29(2)33-19-24-45(40(51)46-32-15-13-31(14-16-32)35-28-49(48-47-35)27-30-11-9-8-10-12-30)26-25-43(6)34(39(33)45)17-18-37-42(5)22-21-38(50)41(3,4)36(42)20-23-44(37,43)7/h8-16,28,33-34,36-37,39H,1,17-27H2,2-7H3,(H,46,51)/t33-,34+,36-,37+,39+,42-,43+,44+,45-/m0/s1
    MOLECULAR FORMULA
    C45H58N4O2
    CROSS REFERENCES
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    canSAR917089

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 686.46
    AlogP 10.16
    HBond donors 1
    HBond acceptors 6
    Atoms 109
    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 canSAR917089.