canSAR1830313
FEATURES
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NAMES
    SMILES
    Cc1ccc(S(=O)(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2C[C@H](n3cc(-c4ccccc4)nn3)CN2C(=O)[C@@H](NC(=O)c2ccco2)C(C)(C)C)cc1
    InChI
    InChI=1S/C37H45N7O7S/c1-23(2)19-28(33(45)41-52(49,50)27-16-14-24(3)15-17-27)38-34(46)30-20-26(44-22-29(40-42-44)25-11-8-7-9-12-25)21-43(30)36(48)32(37(4,5)6)39-35(47)31-13-10-18-51-31/h7-18,22-23,26,28,30,32H,19-21H2,1-6H3,(H,38,46)(H,39,47)(H,41,45)/t26-,28-,30-,32+/m0/s1
    MOLECULAR FORMULA
    C37H45N7O7S
    CROSS REFERENCES
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    canSAR1830313
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight731.31
    AlogP3.87
    HBond donors3
    HBond acceptors14
    Atoms97
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1830313.