canSAR1503166
FEATURES
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NAMES
    SMILES
    C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H](CCCCN)n3cc(CC(C)O)nn3)CC2)nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc(CCC(=O)O)nn3)CC2)n1.Cl
    InChI
    InChI=1S/C42H67N15O8.ClH/c1-5-22-63-24-26-65-27-25-64-23-13-44-40-45-41(54-18-14-52(15-19-54)38(61)35(9-7-8-12-43)56-30-34(49-50-56)28-32(4)58)47-42(46-40)55-20-16-53(17-21-55)39(62)37(31(3)6-2)57-29-33(48-51-57)10-11-36(59)60;/h1,29-32,35,37,58H,6-28,43H2,2-4H3,(H,59,60)(H,44,45,46,47);1H/t31-,32?,35-,37-;/m0./s1
    MOLECULAR FORMULA
    C42H68ClN15O8
    CROSS REFERENCES
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    canSAR1503166
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight945.51
    AlogP0.47
    HBond donors5
    HBond acceptors23
    Atoms134
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503166.