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canSAR1769563
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NAMES
    SMILES
    COc1ccccc1-n1c(O)cc(Sc2nnc(-c3cccc(C)c3)[nH]2)c1O
    InChI
    InChI=1S/C20H18N4O3S/c1-12-6-5-7-13(10-12)18-21-20(23-22-18)28-16-11-17(25)24(19(16)26)14-8-3-4-9-15(14)27-2/h3-11,25-26H,1-2H3,(H,21,22,23)
    MOLECULAR FORMULA
    C20H18N4O3S
    CROSS REFERENCES
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    canSAR1769563

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.11
    AlogP 4.14
    HBond donors 3
    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 canSAR1769563.