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canSAR1201323
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NAMES
    SMILES
    COc1cccc(/C=N/NC(=O)CSc2nnnn2-c2cccc3ccccc23)c1OC
    InChI
    InChI=1S/C22H20N6O3S/c1-30-19-12-6-9-16(21(19)31-2)13-23-24-20(29)14-32-22-25-26-27-28(22)18-11-5-8-15-7-3-4-10-17(15)18/h3-13H,14H2,1-2H3,(H,24,29)/b23-13+
    MOLECULAR FORMULA
    C22H20N6O3S
    CROSS REFERENCES
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    canSAR1201323

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.13
    AlogP 3.08
    HBond donors 1
    HBond acceptors 9
    Atoms 52
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1201323.