canSAR424432
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C(C)O)C(O)C1O)C(=O)NC(CCC(=O)O)C(=O)NC.N=C(N)NCCC[C@H](N)C=O
    InChI
    InChI=1S/C45H85N3O10.C6H14N4O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-40(53)39(52)41(58-45)34(3)49)44(56)47-36(43(55)46-4)31-32-38(50)51;7-5(4-11)2-1-3-10-6(8)9/h34-37,39-41,45,49,52-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,50,51);4-5H,1-3,7H2,(H4,8,9,10)/t34?,36?,37-,39?,40?,41?,45?;5-/m10/s1
    MOLECULAR FORMULA
    C51H99N7O11
    CROSS REFERENCES
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    canSAR424432
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight985.74
    AlogP5.99
    HBond donors13
    HBond acceptors18
    Atoms168
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR424432.