canSAR1604813
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)n3cc(CCCN=C(N)N)nn3)CC2)n1
    InChI
    InChI=1S/C38H62N20O5/c1-4-20-61-22-24-63-25-23-62-21-11-45-36-46-37(55-16-12-53(13-17-55)32(59)28(2)57-26-30(49-51-57)7-5-9-43-34(39)40)48-38(47-36)56-18-14-54(15-19-56)33(60)29(3)58-27-31(50-52-58)8-6-10-44-35(41)42/h1,26-29H,5-25H2,2-3H3,(H4,39,40,43)(H4,41,42,44)(H,45,46,47,48)/t28-,29-/m0/s1
    MOLECULAR FORMULA
    C38H62N20O5
    CROSS REFERENCES
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    canSAR1604813
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight878.52
    AlogP-2.62
    HBond donors9
    HBond acceptors25
    Atoms125
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1604813.