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canSAR1688329
FEATURES
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NAMES
    SMILES
    Nc1cc(N)nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1
    InChI
    InChI=1S/C13H13ClN6O2S/c14-8-3-1-7(2-4-8)12(22)20-19-11(21)6-23-13-17-9(15)5-10(16)18-13/h1-5H,6H2,(H,19,21)(H,20,22)(H4,15,16,17,18)
    MOLECULAR FORMULA
    C13H13ClN6O2S
    CROSS REFERENCES
    1688329 logo

    canSAR1688329

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 352.05
    AlogP 0.85
    HBond donors 6
    HBond acceptors 8
    Atoms 36
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1688329.