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canSAR1649523
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NAMES
    SMILES
    O=C(CSc1ncccn1)NCc1cccc(Cl)c1
    InChI
    InChI=1S/C13H12ClN3OS/c14-11-4-1-3-10(7-11)8-17-12(18)9-19-13-15-5-2-6-16-13/h1-7H,8-9H2,(H,17,18)
    MOLECULAR FORMULA
    C13H12ClN3OS
    CROSS REFERENCES
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    canSAR1649523

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 293.04
    AlogP 2.54
    HBond donors 1
    HBond acceptors 4
    Atoms 31
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1649523.