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canSAR1086500
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NAMES
    SMILES
    CC(C)(C)c1ccc(/C(=N\NC(N)=S)c2ccccn2)cc1
    InChI
    InChI=1S/C17H20N4S/c1-17(2,3)13-9-7-12(8-10-13)15(20-21-16(18)22)14-6-4-5-11-19-14/h4-11H,1-3H3,(H3,18,21,22)/b20-15+
    MOLECULAR FORMULA
    C17H20N4S
    CROSS REFERENCES
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    canSAR1086500

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 312.14
    AlogP 2.96
    HBond donors 3
    HBond acceptors 4
    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 canSAR1086500.