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canSAR1617813
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NAMES
    SMILES
    OCCSc1nncn1N=Cc1c[nH]c2ccccc12
    InChI
    InChI=1S/C13H13N5OS/c19-5-6-20-13-17-15-9-18(13)16-8-10-7-14-12-4-2-1-3-11(10)12/h1-4,7-9,14,19H,5-6H2
    MOLECULAR FORMULA
    C13H13N5OS
    CROSS REFERENCES
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    canSAR1617813

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 287.08
    AlogP 1.73
    HBond donors 2
    HBond acceptors 6
    Atoms 33
    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 canSAR1617813.