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canSAR101834
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NAMES
    SMILES
    O=C(Nc1nnc(S)s1)N[C@@H](Cc1ccccc1)C(=O)O
    InChI
    InChI=1S/C12H12N4O3S2/c17-9(18)8(6-7-4-2-1-3-5-7)13-10(19)14-11-15-16-12(20)21-11/h1-5,8H,6H2,(H,16,20)(H,17,18)(H2,13,14,15,19)/t8-/m0/s1
    MOLECULAR FORMULA
    C12H12N4O3S2
    CROSS REFERENCES
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    canSAR101834

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 324.04
    AlogP 1.64
    HBond donors 3
    HBond acceptors 7
    Atoms 33
    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 canSAR101834.