canSAR1835020
FEATURES
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NAMES
    SMILES
    C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc(CCCN=C(N)N)nn3)CC2)nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc(CCC(=O)O)nn3)CC2)n1
    InChI
    InChI=1S/C43H69N17O7/c1-6-23-65-25-27-67-28-26-66-24-14-47-41-48-42(57-19-15-55(16-20-57)38(63)36(31(4)7-2)59-29-33(51-53-59)10-9-13-46-40(44)45)50-43(49-41)58-21-17-56(18-22-58)39(64)37(32(5)8-3)60-30-34(52-54-60)11-12-35(61)62/h1,29-32,36-37H,7-28H2,2-5H3,(H,61,62)(H4,44,45,46)(H,47,48,49,50)/t31-,32-,36-,37-/m0/s1
    MOLECULAR FORMULA
    C43H69N17O7
    CROSS REFERENCES
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    canSAR1835020
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight935.56
    AlogP0.24
    HBond donors6
    HBond acceptors24
    Atoms136
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1835020.