canSAR742685
FEATURES
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NAMES
    SMILES
    COc1ccc2nc3cc(Cl)ccc3c(NCCCN3CCN(CCCNc4c5ccccc5nc5ccccc45)CC3)c2c1
    InChI
    InChI=1S/C37H39ClN6O/c1-45-27-13-15-34-31(25-27)37(30-14-12-26(38)24-35(30)42-34)40-17-7-19-44-22-20-43(21-23-44)18-6-16-39-36-28-8-2-4-10-32(28)41-33-11-5-3-9-29(33)36/h2-5,8-15,24-25H,6-7,16-23H2,1H3,(H,39,41)(H,40,42)
    MOLECULAR FORMULA
    C37H39ClN6O
    CROSS REFERENCES
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    canSAR742685
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight618.29
    AlogP7.67
    HBond donors2
    HBond acceptors7
    Atoms84
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR742685.