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canSAR1153412
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NAMES
    SMILES
    COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC/C(=N\OC(=O)CN5C(=O)CSC5=S)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
    InChI
    InChI=1S/C36H52N2O5S2/c1-31(2)15-17-36(29(41)42-8)18-16-34(6)22(23(36)19-31)9-10-25-33(5)13-12-26(32(3,4)24(33)11-14-35(25,34)7)37-43-28(40)20-38-27(39)21-45-30(38)44/h9,23-25H,10-21H2,1-8H3/b37-26+/t23-,24-,25+,33-,34+,35+,36-/m0/s1
    MOLECULAR FORMULA
    C36H52N2O5S2
    CROSS REFERENCES
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    canSAR1153412

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 656.33
    AlogP 7.72
    HBond donors 0
    HBond acceptors 7
    Atoms 97
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1153412.