canSAR599679
FEATURES
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NAMES
    SMILES
    Nc1cnc(C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)cn1
    InChI
    InChI=1S/C25H16ClFN6OS/c26-20-9-17(5-7-22(20)34-13-15-2-1-3-16(27)8-15)33-25-24-21(31-14-32-25)10-19(35-24)6-4-18-11-30-23(28)12-29-18/h1-3,5,7-12,14H,13H2,(H2,28,30)(H,31,32,33)
    MOLECULAR FORMULA
    C25H16ClFN6OS
    CROSS REFERENCES
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    canSAR599679
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight502.08
    AlogP5.58
    HBond donors3
    HBond acceptors7
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR599679.