canSAR2060054
FEATURES
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NAMES
    SMILES
    O=c1c(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)coc2ccc(Br)cc12
    InChI
    InChI=1S/C21H20BrN5O3S/c22-14-1-2-18-15(9-14)19(28)13(11-30-18)10-23-26-21-24-17-3-8-31-12-16(17)20(25-21)27-4-6-29-7-5-27/h1-2,9-11H,3-8,12H2,(H,24,25,26)/b23-10+
    MOLECULAR FORMULA
    C21H20BrN5O3S
    CROSS REFERENCES
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    canSAR2060054
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight501.05
    AlogP3.42
    HBond donors1
    HBond acceptors8
    Atoms51
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2060054.