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canSAR549139
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NAMES
    SMILES
    Cl.Nc1[nH]cnc2c(C3NC(CSCCF)C(O)C3O)cnc1-2
    InChI
    InChI=1S/C13H18FN5O2S.ClH/c14-1-2-22-4-7-11(20)12(21)9(19-7)6-3-16-10-8(6)17-5-18-13(10)15;/h3,5,7,9,11-12,19-21H,1-2,4,15H2,(H,17,18);1H
    MOLECULAR FORMULA
    C13H19ClFN5O2S
    CROSS REFERENCES
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    canSAR549139

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 363.09
    AlogP 0.35
    HBond donors 6
    HBond acceptors 7
    Atoms 42
    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 canSAR549139.