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canSAR1619104
FEATURES
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NAMES
    SMILES
    CCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N
    InChI
    InChI=1S/C12H16N4O3S/c1-3-4-10-14-15-12(16(10)13)20-7-8-5-6-9(19-8)11(17)18-2/h5-6H,3-4,7,13H2,1-2H3
    MOLECULAR FORMULA
    C12H16N4O3S
    CROSS REFERENCES
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    canSAR1619104

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 296.09
    AlogP 1.62
    HBond donors 2
    HBond acceptors 7
    Atoms 36
    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 canSAR1619104.