canSAR732048
FEATURES
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NAMES
    SMILES
    Cn1c2ccccc2c2nnc(Sc3nc(NCCN4CCOCC4)nc(NCCN4CCOCC4)n3)nc21
    InChI
    InChI=1S/C25H33N11O2S/c1-34-19-5-3-2-4-18(19)20-21(34)28-25(33-32-20)39-24-30-22(26-6-8-35-10-14-37-15-11-35)29-23(31-24)27-7-9-36-12-16-38-17-13-36/h2-5H,6-17H2,1H3,(H2,26,27,29,30,31)
    MOLECULAR FORMULA
    C25H33N11O2S
    CROSS REFERENCES
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    canSAR732048
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight551.25
    AlogP1.34
    HBond donors2
    HBond acceptors13
    Atoms72
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR732048.