canSAR2168228
FEATURES
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NAMES
    SMILES
    Cc1ncc(NC(=O)c2cc(C(C)(C)C#N)ccn2)cc1-c1cnc(OC(F)F)c(N2CCOCC2)c1
    InChI
    InChI=1S/C26H26F2N6O3/c1-16-20(17-10-22(34-6-8-36-9-7-34)24(32-13-17)37-25(27)28)12-19(14-31-16)33-23(35)21-11-18(4-5-30-21)26(2,3)15-29/h4-5,10-14,25H,6-9H2,1-3H3,(H,33,35)
    MOLECULAR FORMULA
    C26H26F2N6O3
    CROSS REFERENCES
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    canSAR2168228
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight508.20
    AlogP4.34
    HBond donors1
    HBond acceptors9
    Atoms63
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2168228.