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canSAR1718080
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NAMES
    SMILES
    COCC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)O)c(C)c12
    InChI
    InChI=1S/C18H17F2N3O4S/c1-9-14-16(21-8-22-17(14)28-15(9)18(24)25)23-12-4-3-10(20)5-13(12)27-11(6-19)7-26-2/h3-5,8,11H,6-7H2,1-2H3,(H,24,25)(H,21,22,23)
    MOLECULAR FORMULA
    C18H17F2N3O4S
    CROSS REFERENCES
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    canSAR1718080

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 409.09
    AlogP 3.94
    HBond donors 2
    HBond acceptors 7
    Atoms 45
    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 canSAR1718080.