canSAR392726
FEATURES
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NAMES
    SMILES
    CS/C(=N\CCCCC(NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N1CCOC(CCN)C1)NC#N
    InChI
    InChI=1S/C42H62N8O7S/c1-29(2)23-36(37(51)26-39(53)50-19-22-57-33(27-50)14-15-43)48-41(55)35(13-6-7-16-45-42(58-3)46-28-44)47-40(54)32(25-38(52)49-17-20-56-21-18-49)24-31-11-8-10-30-9-4-5-12-34(30)31/h4-5,8-12,29,32-33,35-37,51H,6-7,13-27,43H2,1-3H3,(H,45,46)(H,47,54)(H,48,55)/t32?,33?,35?,36?,37-/m0/s1
    MOLECULAR FORMULA
    C42H62N8O7S
    CROSS REFERENCES
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    canSAR392726
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight822.45
    AlogP2.55
    HBond donors6
    HBond acceptors15
    Atoms120
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR392726.