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canSAR1528879
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NAMES
    SMILES
    C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H](CCCCN)n3cc([C@@H](N)CC(C)C)nn3)CC2)nc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)n3cc([C@@H](N)C(C)CC)nn3)CC2)n1.Cl
    InChI
    InChI=1S/C49H77N17O6.ClH/c1-6-25-70-27-29-72-30-28-71-26-16-53-47-54-48(63-21-17-61(18-22-63)45(68)42(10-8-9-15-50)65-33-40(57-59-65)39(51)31-35(3)4)56-49(55-47)64-23-19-62(20-24-64)46(69)43(32-37-11-13-38(67)14-12-37)66-34-41(58-60-66)44(52)36(5)7-2;/h1,11-14,33-36,39,42-44,67H,7-10,15-32,50-52H2,2-5H3,(H,53,54,55,56);1H/t36?,39-,42-,43-,44-;/m0./s1
    MOLECULAR FORMULA
    C49H78ClN17O6
    CROSS REFERENCES
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    canSAR1528879

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1035.60
    AlogP 2.52
    HBond donors 8
    HBond acceptors 23
    Atoms 151
    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 canSAR1528879.