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canSAR832148
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(C(=O)n3ccnc3C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C34H48N2O2/c1-21(2)23-11-16-34(29(38)36-20-19-35-22(36)3)18-17-32(7)24(28(23)34)9-10-26-31(6)14-13-27(37)30(4,5)25(31)12-15-33(26,32)8/h13-14,19-20,23-26,28H,1,9-12,15-18H2,2-8H3/t23-,24+,25-,26+,28+,31-,32+,33+,34-/m0/s1
    MOLECULAR FORMULA
    C34H48N2O2
    CROSS REFERENCES
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    canSAR832148

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.37
    AlogP 7.83
    HBond donors 0
    HBond acceptors 4
    Atoms 86
    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 canSAR832148.