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canSAR2050345
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NAMES
    SMILES
    Cc1ncc(Cn2cc(CSc3nnc(-c4ccc(Cl)cc4)o3)nn2)c(N)n1
    InChI
    InChI=1S/C17H15ClN8OS/c1-10-20-6-12(15(19)21-10)7-26-8-14(22-25-26)9-28-17-24-23-16(27-17)11-2-4-13(18)5-3-11/h2-6,8H,7,9H2,1H3,(H2,19,20,21)
    MOLECULAR FORMULA
    C17H15ClN8OS
    CROSS REFERENCES
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    canSAR2050345

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.08
    AlogP 3.00
    HBond donors 2
    HBond acceptors 9
    Atoms 43
    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 canSAR2050345.