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canSAR1511861
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NAMES
    SMILES
    COc1ccc(CN=C(C)c2c(C(F)(F)F)nn(-c3nc4ccccc4s3)c2O)cc1
    InChI
    InChI=1S/C21H17F3N4O2S/c1-12(25-11-13-7-9-14(30-2)10-8-13)17-18(21(22,23)24)27-28(19(17)29)20-26-15-5-3-4-6-16(15)31-20/h3-10,29H,11H2,1-2H3
    MOLECULAR FORMULA
    C21H17F3N4O2S
    CROSS REFERENCES
    1511861 logo

    canSAR1511861

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.10
    AlogP 5.22
    HBond donors 1
    HBond acceptors 6
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1511861.