canSAR595072
FEATURES
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NAMES
    SMILES
    CCNc1cc2sc3c(Nc4cccc(Br)c4)ncnc3c2cc1F.CCO
    InChI
    InChI=1S/C18H14BrFN4S.C2H6O/c1-2-21-14-8-15-12(7-13(14)20)16-17(25-15)18(23-9-22-16)24-11-5-3-4-10(19)6-11;1-2-3/h3-9,21H,2H2,1H3,(H,22,23,24);3H,2H2,1H3
    MOLECULAR FORMULA
    C20H20BrFN4OS
    CROSS REFERENCES
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    canSAR595072
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight462.05
    AlogP5.92
    HBond donors3
    HBond acceptors5
    Atoms48
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR595072.