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canSAR1142256
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NAMES
    SMILES
    Cc1cncn1CCCNC(=S)Nc1cc2ccccc2cn1
    InChI
    InChI=1S/C17H19N5S/c1-13-10-18-12-22(13)8-4-7-19-17(23)21-16-9-14-5-2-3-6-15(14)11-20-16/h2-3,5-6,9-12H,4,7-8H2,1H3,(H2,19,20,21,23)
    MOLECULAR FORMULA
    C17H19N5S
    CROSS REFERENCES
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    canSAR1142256

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 325.14
    AlogP 3.12
    HBond donors 2
    HBond acceptors 5
    Atoms 42
    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 canSAR1142256.