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canSAR1501596
FEATURES
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NAMES
    SMILES
    O=C(Cc1cccc(OCCN2CCOCC2)c1)Nc1nnc(CCSCc2nnc(NC(=O)Cc3cccc(OCCN4CCOCC4)c3)s2)s1
    InChI
    InChI=1S/C35H44N8O6S3/c44-30(23-26-3-1-5-28(21-26)48-18-12-42-8-14-46-15-9-42)36-34-40-38-32(51-34)7-20-50-25-33-39-41-35(52-33)37-31(45)24-27-4-2-6-29(22-27)49-19-13-43-10-16-47-17-11-43/h1-6,21-22H,7-20,23-25H2,(H,36,40,44)(H,37,41,45)
    MOLECULAR FORMULA
    C35H44N8O6S3
    CROSS REFERENCES
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    canSAR1501596

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 768.25
    AlogP 3.65
    HBond donors 2
    HBond acceptors 14
    Atoms 96
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1501596.