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canSAR1766963
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NAMES
    SMILES
    COC(=O)C[C@@H]1N=C(c2ccc(Nc3c(F)cc(F)cc3F)cc2)c2c(sc(CO)c2C)-n2c(C)nnc21
    InChI
    InChI=1S/C26H22F3N5O3S/c1-12-20(11-35)38-26-22(12)23(31-19(10-21(36)37-3)25-33-32-13(2)34(25)26)14-4-6-16(7-5-14)30-24-17(28)8-15(27)9-18(24)29/h4-9,19,30,35H,10-11H2,1-3H3/t19-/m0/s1
    MOLECULAR FORMULA
    C26H22F3N5O3S
    CROSS REFERENCES
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    canSAR1766963

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 541.14
    AlogP 5.05
    HBond donors 2
    HBond acceptors 8
    Atoms 60
    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 canSAR1766963.