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canSAR1018598
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NAMES
    SMILES
    COc1cccc(Nc2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)c1
    InChI
    InChI=1S/C20H18N4O3S/c1-27-16-6-3-5-15(13-16)21-20-22-19-18(7-4-12-24(19)23-20)14-8-10-17(11-9-14)28(2,25)26/h3-13H,1-2H3,(H,21,23)
    MOLECULAR FORMULA
    C20H18N4O3S
    CROSS REFERENCES
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    canSAR1018598

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.11
    AlogP 3.55
    HBond donors 1
    HBond acceptors 7
    Atoms 46
    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 canSAR1018598.