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canSAR836845
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NAMES
    SMILES
    CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC[C@H](C(=O)NCc3ccccc3)C2)c(C(C)C)c1
    InChI
    InChI=1S/C38H51N5O4S/c1-24(2)31-20-32(25(3)4)35(33(21-31)26(5)6)48(46,47)42-34(19-28-14-10-15-29(18-28)36(39)40)38(45)43-17-11-16-30(23-43)37(44)41-22-27-12-8-7-9-13-27/h7-10,12-15,18,20-21,24-26,30,34,42H,11,16-17,19,22-23H2,1-6H3,(H3,39,40)(H,41,44)/t30-,34-/m0/s1
    MOLECULAR FORMULA
    C38H51N5O4S
    CROSS REFERENCES
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    canSAR836845

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 673.37
    AlogP 5.79
    HBond donors 5
    HBond acceptors 9
    Atoms 99
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR836845.