canSAR1530177
FEATURES
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NAMES
    SMILES
    C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C(=O)C(F)(F)F)CC1
    InChI
    InChI=1S/C25H22BrF4N5O3/c1-2-22(36)33-20-10-16-19(31-13-32-23(16)34-18-4-3-15(26)9-17(18)27)11-21(20)38-12-14-5-7-35(8-6-14)24(37)25(28,29)30/h2-4,9-11,13-14H,1,5-8,12H2,(H,33,36)(H,31,32,34)
    MOLECULAR FORMULA
    C25H22BrF4N5O3
    CROSS REFERENCES
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    canSAR1530177
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight595.08
    AlogP5.58
    HBond donors2
    HBond acceptors8
    Atoms60
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1530177.