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canSAR1401683
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NAMES
    SMILES
    Cc1ccc(C2CN3CCSC3=N2)cc1.O=C(O)C(=O)O
    InChI
    InChI=1S/C12H14N2S.C2H2O4/c1-9-2-4-10(5-3-9)11-8-14-6-7-15-12(14)13-11;3-1(4)2(5)6/h2-5,11H,6-8H2,1H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C14H16N2O4S
    CROSS REFERENCES
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    canSAR1401683

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 308.08
    AlogP 1.61
    HBond donors 2
    HBond acceptors 6
    Atoms 37
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1401683.