canSAR292231
FEATURES
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NAMES
    SMILES
    CCC(C)[C@H](NC(=O)[C@H](CS)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)O
    InChI
    InChI=1S/C44H60N8O10S/c1-4-25(2)38(52-42(59)37(24-63)47-26(3)53)43(60)50-35(22-29-12-18-32(55)19-13-29)40(57)48-33(7-5-6-20-45)39(56)49-34(21-28-10-16-31(54)17-11-28)41(58)51-36(44(61)62)23-27-8-14-30(46)15-9-27/h8-19,25,33-38,54-55,63H,4-7,20-24,45-46H2,1-3H3,(H,47,53)(H,48,57)(H,49,56)(H,50,60)(H,51,58)(H,52,59)(H,61,62)/t25?,33-,34-,35-,36-,37-,38-/m0/s1
    MOLECULAR FORMULA
    C44H60N8O10S
    CROSS REFERENCES
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    canSAR292231
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight892.42
    AlogP0.83
    HBond donors13
    HBond acceptors18
    Atoms123
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR292231.