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canSAR1827442
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NAMES
    SMILES
    CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1
    InChI
    InChI=1S/C15H17N3O2S/c1-3-18(4-2)11-7-5-10(6-8-11)9-12-13(19)16-15(21)17-14(12)20/h5-9H,3-4H2,1-2H3,(H2,16,17,19,20,21)
    MOLECULAR FORMULA
    C15H17N3O2S
    CROSS REFERENCES
    1827442 logo

    canSAR1827442

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 303.10
    AlogP 1.45
    HBond donors 2
    HBond acceptors 5
    Atoms 38
    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 canSAR1827442.