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canSAR1125964
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NAMES
    SMILES
    COC(=N)c1nc2ccc3ncnc(Nc4ccc(C(F)(F)F)cc4)c3c2s1
    InChI
    InChI=1S/C18H12F3N5OS/c1-27-15(22)17-26-12-7-6-11-13(14(12)28-17)16(24-8-23-11)25-10-4-2-9(3-5-10)18(19,20)21/h2-8,22H,1H3,(H,23,24,25)
    MOLECULAR FORMULA
    C18H12F3N5OS
    CROSS REFERENCES
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    canSAR1125964

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.07
    AlogP 4.97
    HBond donors 2
    HBond acceptors 6
    Atoms 40
    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 canSAR1125964.