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canSAR789469
FEATURES
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NAMES
    SMILES
    O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cn3c(=O)[nH]cc(F)c3=O)CS[C@H]12
    InChI
    InChI=1S/C18H15FN4O6S2/c19-10-5-20-18(29)22(14(10)25)6-8-7-31-16-12(15(26)23(16)13(8)17(27)28)21-11(24)4-9-2-1-3-30-9/h1-3,5,12,16H,4,6-7H2,(H,20,29)(H,21,24)(H,27,28)/t12-,16-/m1/s1
    MOLECULAR FORMULA
    C18H15FN4O6S2
    CROSS REFERENCES
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    canSAR789469

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.04
    AlogP -0.28
    HBond donors 3
    HBond acceptors 10
    Atoms 46
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR789469.