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canSAR1687802
FEATURES
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NAMES
    SMILES
    C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H](C)n3cc(CCCN=C(N)N)nn3)CC2)nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc(CCC(=O)O)nn3)CC2)n1.Cl
    InChI
    InChI=1S/C40H63N17O7.ClH/c1-5-21-62-23-25-64-26-24-63-22-12-44-38-45-39(54-17-13-52(14-18-54)35(60)30(4)56-27-31(48-50-56)8-7-11-43-37(41)42)47-40(46-38)55-19-15-53(16-20-55)36(61)34(29(3)6-2)57-28-32(49-51-57)9-10-33(58)59;/h1,27-30,34H,6-26H2,2-4H3,(H,58,59)(H4,41,42,43)(H,44,45,46,47);1H/t29-,30-,34-;/m0./s1
    MOLECULAR FORMULA
    C40H64ClN17O7
    CROSS REFERENCES
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    canSAR1687802

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 929.49
    AlogP -0.36
    HBond donors 6
    HBond acceptors 24
    Atoms 129
    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 canSAR1687802.