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canSAR1143042
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NAMES
    SMILES
    Cc1cncn1CCCNC(=S)Nc1ccc2cnccc2c1
    InChI
    InChI=1S/C17H19N5S/c1-13-10-19-12-22(13)8-2-6-20-17(23)21-16-4-3-15-11-18-7-5-14(15)9-16/h3-5,7,9-12H,2,6,8H2,1H3,(H2,20,21,23)
    MOLECULAR FORMULA
    C17H19N5S
    CROSS REFERENCES
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    canSAR1143042

    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 canSAR1143042.