canSAR171146
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](Cc1ccc(OCC(=O)O)c(OCC(=O)O)c1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2cccc3ccccc23)CCCCC1
    InChI
    InChI=1S/C39H47N5O11/c1-24(45)42-29(19-25-14-15-31(54-22-34(47)48)32(20-25)55-23-35(49)50)37(52)44-39(16-5-2-6-17-39)38(53)43-30(21-33(40)46)36(51)41-18-8-12-27-11-7-10-26-9-3-4-13-28(26)27/h3-4,7,9-11,13-15,20,29-30H,2,5-6,8,12,16-19,21-23H2,1H3,(H2,40,46)(H,41,51)(H,42,45)(H,43,53)(H,44,52)(H,47,48)(H,49,50)/t29-,30-/m0/s1
    MOLECULAR FORMULA
    C39H47N5O11
    CROSS REFERENCES
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    canSAR171146
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight761.33
    AlogP1.74
    HBond donors8
    HBond acceptors16
    Atoms102
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR171146.