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canSAR106125
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NAMES
    SMILES
    N#CCC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CS(=O)(=O)C[C@@H]43)c(F)c2)C(=O)O1
    InChI
    InChI=1S/C18H18FN3O5S/c19-15-5-10(1-2-12(15)17-13-8-28(25,26)9-14(13)17)22-7-11(27-18(22)24)6-21-16(23)3-4-20/h1-2,5,11,13-14,17H,3,6-9H2,(H,21,23)/t11-,13-,14+,17+/m0/s1
    MOLECULAR FORMULA
    C18H18FN3O5S
    CROSS REFERENCES
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    canSAR106125

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.10
    AlogP 0.94
    HBond donors 1
    HBond acceptors 8
    Atoms 46
    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 canSAR106125.