canSAR2096374
FEATURES
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NAMES
    SMILES
    Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)CCCCN3CCCN(Cc4ccc(CN5CCCNCCNCCCNCC5)cc4)CCNCCCNCC3)O2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C43H73N13O5/c1-35-31-56(43(59)50-42(35)58)40-30-38(51-52-44)39(61-40)34-60-41(57)8-2-3-23-53-25-7-26-55(29-22-49-16-5-15-47-20-27-53)33-37-11-9-36(10-12-37)32-54-24-6-17-46-19-18-45-13-4-14-48-21-28-54/h9-12,31,38-40,45-49H,2-8,13-30,32-34H2,1H3,(H,50,58,59)/t38-,39+,40+/m0/s1
    MOLECULAR FORMULA
    C43H73N13O5
    CROSS REFERENCES
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    canSAR2096374
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight851.59
    AlogP1.67
    HBond donors6
    HBond acceptors18
    Atoms134
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096374.