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canSAR786377
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NAMES
    SMILES
    Cc1ccc(-c2csc(NN=C3CCC(C)CC3)n2)cc1
    InChI
    InChI=1S/C17H21N3S/c1-12-3-7-14(8-4-12)16-11-21-17(18-16)20-19-15-9-5-13(2)6-10-15/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,18,20)/b19-15-
    MOLECULAR FORMULA
    C17H21N3S
    CROSS REFERENCES
    786377 logo

    canSAR786377

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 299.15
    AlogP 5.10
    HBond donors 1
    HBond acceptors 3
    Atoms 42
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR786377.