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canSAR1688558
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NAMES
    SMILES
    O=c1cc(NCc2ccccc2)nc2n1CCCS2
    InChI
    InChI=1S/C14H15N3OS/c18-13-9-12(15-10-11-5-2-1-3-6-11)16-14-17(13)7-4-8-19-14/h1-3,5-6,9,15H,4,7-8,10H2
    MOLECULAR FORMULA
    C14H15N3OS
    CROSS REFERENCES
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    canSAR1688558

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 273.09
    AlogP 2.35
    HBond donors 1
    HBond acceptors 4
    Atoms 34
    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 canSAR1688558.