canSAR604291
FEATURES
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NAMES
    SMILES
    Brc1cnc2[nH]c(-c3ccc(CN4CCOCC4)cc3)nc2c1N1CCN(Cc2cncs2)CC1
    InChI
    InChI=1S/C25H28BrN7OS/c26-21-14-28-25-22(23(21)33-7-5-31(6-8-33)16-20-13-27-17-35-20)29-24(30-25)19-3-1-18(2-4-19)15-32-9-11-34-12-10-32/h1-4,13-14,17H,5-12,15-16H2,(H,28,29,30)
    MOLECULAR FORMULA
    C25H28BrN7OS
    CROSS REFERENCES
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    canSAR604291
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight553.13
    AlogP4.00
    HBond donors1
    HBond acceptors8
    Atoms63
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR604291.