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canSAR1826622
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NAMES
    SMILES
    C(=NNc1nc2ccccc2s1)c1cccn1CCOc1ccccc1
    InChI
    InChI=1S/C20H18N4OS/c1-2-8-17(9-3-1)25-14-13-24-12-6-7-16(24)15-21-23-20-22-18-10-4-5-11-19(18)26-20/h1-12,15H,13-14H2,(H,22,23)
    MOLECULAR FORMULA
    C20H18N4OS
    CROSS REFERENCES
    1826622 logo

    canSAR1826622

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 362.12
    AlogP 4.62
    HBond donors 1
    HBond acceptors 5
    Atoms 44
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1826622.