canSAR1846640
FEATURES
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NAMES
    SMILES
    C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H](C)n3cc(CCC(=O)O)nn3)CC2)nc(N2CCN(C(=O)[C@H]([C@@H](C)O)n3cc(CCCCN)nn3)CC2)n1
    InChI
    InChI=1S/C38H59N15O8/c1-4-20-59-22-24-61-25-23-60-21-11-40-36-41-37(50-16-12-48(13-17-50)34(57)28(2)52-26-31(45-46-52)8-9-32(55)56)43-38(42-36)51-18-14-49(15-19-51)35(58)33(29(3)54)53-27-30(44-47-53)7-5-6-10-39/h1,26-29,33,54H,5-25,39H2,2-3H3,(H,55,56)(H,40,41,42,43)/t28-,29+,33-/m0/s1
    MOLECULAR FORMULA
    C38H59N15O8
    CROSS REFERENCES
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    canSAR1846640
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight853.47
    AlogP-1.37
    HBond donors5
    HBond acceptors23
    Atoms120
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846640.