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canSAR85835
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NAMES
    SMILES
    c1cc2c(N3CCNCC3)nc3ccsc3n2c1
    InChI
    InChI=1S/C13H14N4S/c1-2-11-12(16-7-4-14-5-8-16)15-10-3-9-18-13(10)17(11)6-1/h1-3,6,9,14H,4-5,7-8H2
    MOLECULAR FORMULA
    C13H14N4S
    CROSS REFERENCES
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    canSAR85835

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 258.09
    AlogP 1.96
    HBond donors 1
    HBond acceptors 4
    Atoms 32
    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 canSAR85835.