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canSAR655506
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCNC[C@@H]1CSC(c2ccc(NC(C)=O)cc2)N1
    InChI
    InChI=1S/C28H49N3OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-29-22-27-23-33-28(31-27)25-17-19-26(20-18-25)30-24(2)32/h17-20,27-29,31H,3-16,21-23H2,1-2H3,(H,30,32)/t27-,28?/m1/s1
    MOLECULAR FORMULA
    C28H49N3OS
    CROSS REFERENCES
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    canSAR655506

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 475.36
    AlogP 7.42
    HBond donors 3
    HBond acceptors 4
    Atoms 82
    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 canSAR655506.