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canSAR1981922
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCN(C)CC3)nc12
    InChI
    InChI=1S/C26H26F3N9O2/c1-37-8-10-38(11-9-37)25-35-21-20(22(30)36-25)31-14-32-23(21)34-18-12-15(6-7-19(18)40-2)24(39)33-17-5-3-4-16(13-17)26(27,28)29/h3-7,12-14H,8-11H2,1-2H3,(H,33,39)(H2,30,35,36)(H,31,32,34)
    MOLECULAR FORMULA
    C26H26F3N9O2
    CROSS REFERENCES
    1981922 logo

    canSAR1981922

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 553.22
    AlogP 3.78
    HBond donors 4
    HBond acceptors 11
    Atoms 66
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1981922.