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canSAR1444431
FEATURES
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NAMES
    SMILES
    C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H](CCCCN)n3cc(CCCC)nn3)CC2)nc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)n3cc(CCO)nn3)CC2)n1.Cl
    InChI
    InChI=1S/C45H67N15O7.ClH/c1-3-5-8-36-33-59(53-51-36)39(9-6-7-15-46)41(63)55-17-21-57(22-18-55)44-48-43(47-16-27-66-29-31-67-30-28-65-26-4-2)49-45(50-44)58-23-19-56(20-24-58)42(64)40(32-35-10-12-38(62)13-11-35)60-34-37(14-25-61)52-54-60;/h2,10-13,33-34,39-40,61-62H,3,5-9,14-32,46H2,1H3,(H,47,48,49,50);1H/t39-,40-;/m0./s1
    MOLECULAR FORMULA
    C45H68ClN15O7
    CROSS REFERENCES
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    canSAR1444431

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 965.51
    AlogP 1.31
    HBond donors 5
    HBond acceptors 22
    Atoms 136
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1444431.