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canSAR1974439
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NAMES
    SMILES
    Cc1cc(Nc2ncc(Br)c(N[C@@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O
    InChI
    InChI=1S/C17H24BrN5O2S/c1-10-8-12(6-7-14(10)26(5,19)25)22-16-20-9-13(18)15(23-16)21-11(2)17(3,4)24/h6-9,11,19,24H,1-5H3,(H2,20,21,22,23)/t11-,26?/m0/s1
    MOLECULAR FORMULA
    C17H24BrN5O2S
    CROSS REFERENCES
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    canSAR1974439

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.08
    AlogP 3.90
    HBond donors 4
    HBond acceptors 7
    Atoms 50
    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 canSAR1974439.