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canSAR1987098
FEATURES
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NAMES
    SMILES
    C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n3cc(C[C@@H](C)CC)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)n3cc(C)nn3)CC2)n1
    InChI
    InChI=1S/C62H107N19O8/c1-6-40-87-42-44-89-45-43-88-41-31-68-60-69-61(71-62(70-60)79-38-34-77(35-39-79)55(84)27-21-17-13-9-11-15-19-23-29-66-58(86)56(51(5)82)81-47-50(4)72-74-81)78-36-32-76(33-37-78)54(83)26-20-16-12-8-10-14-18-22-28-65-57(85)53(25-24-30-67-59(63)64)80-48-52(73-75-80)46-49(3)7-2/h1,47-49,51,53,56,82H,7-46H2,2-5H3,(H,65,85)(H,66,86)(H4,63,64,67)(H,68,69,70,71)/t49-,51-,53-,56+/m0/s1
    MOLECULAR FORMULA
    C62H107N19O8
    CROSS REFERENCES
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    canSAR1987098

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1245.86
    AlogP 4.51
    HBond donors 8
    HBond acceptors 27
    Atoms 196
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1987098.