canSAR539753
FEATURES
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NAMES
    SMILES
    CCN1/C(=C/C=C/c2ccc3cc(NC(=O)CCCCC(=O)NCCOCCOCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc65)CC4)ccc3[n+]2CC)C=Cc2ccccc21
    InChI
    InChI=1S/C55H63N9O6/c1-3-62-44(25-22-41-13-5-7-18-48(41)62)14-11-15-45-26-23-42-39-43(24-27-49(42)63(45)4-2)58-52(66)21-10-9-20-51(65)56-29-35-69-37-38-70-36-34-60-30-32-61(33-31-60)40-53(67)64-50-19-8-6-16-46(50)55(68)59-47-17-12-28-57-54(47)64/h5-8,11-19,22-28,39H,3-4,9-10,20-21,29-38,40H2,1-2H3,(H2-,56,58,59,65,66,68)/p+1
    MOLECULAR FORMULA
    C55H64N9O6+
    CROSS REFERENCES
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    canSAR539753
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight946.50
    AlogP7.19
    HBond donors3
    HBond acceptors15
    Atoms134
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR539753.