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canSAR1503862
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NAMES
    SMILES
    CCOC(=O)c1nc(C)nc(Sc2n[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1C
    InChI
    InChI=1S/C19H15F6N5O2S/c1-4-32-16(31)13-8(2)15(27-9(3)26-13)33-17-28-14(29-30-17)10-5-11(18(20,21)22)7-12(6-10)19(23,24)25/h5-7H,4H2,1-3H3,(H,28,29,30)
    MOLECULAR FORMULA
    C19H15F6N5O2S
    CROSS REFERENCES
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    canSAR1503862

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.09
    AlogP 5.24
    HBond donors 1
    HBond acceptors 7
    Atoms 48
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503862.