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canSAR834731
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NAMES
    SMILES
    Cc1ccc(-c2csc(N/N=C3/CCCC(C)C3)n2)cc1
    InChI
    InChI=1S/C17H21N3S/c1-12-6-8-14(9-7-12)16-11-21-17(18-16)20-19-15-5-3-4-13(2)10-15/h6-9,11,13H,3-5,10H2,1-2H3,(H,18,20)/b19-15-
    MOLECULAR FORMULA
    C17H21N3S
    CROSS REFERENCES
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    canSAR834731

    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 Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR834731.