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canSAR1145430
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NAMES
    SMILES
    C=CCC/C(C)=N/Nc1nc(-c2ccc(OC)cc2)cs1
    InChI
    InChI=1S/C16H19N3OS/c1-4-5-6-12(2)18-19-16-17-15(11-21-16)13-7-9-14(20-3)10-8-13/h4,7-11H,1,5-6H2,2-3H3,(H,17,19)/b18-12+
    MOLECULAR FORMULA
    C16H19N3OS
    CROSS REFERENCES
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    canSAR1145430

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 301.12
    AlogP 4.57
    HBond donors 1
    HBond acceptors 4
    Atoms 40
    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 canSAR1145430.