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canSAR2205597
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NAMES
    SMILES
    COc1ccccc1/C=N/N1C(c2ccccc2)=Nc2ccccc2C1Nc1nccs1
    InChI
    InChI=1S/C25H21N5OS/c1-31-22-14-8-5-11-19(22)17-27-30-23(18-9-3-2-4-10-18)28-21-13-7-6-12-20(21)24(30)29-25-26-15-16-32-25/h2-17,24H,1H3,(H,26,29)/b27-17+
    MOLECULAR FORMULA
    C25H21N5OS
    CROSS REFERENCES
    2205597 logo

    canSAR2205597

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.15
    AlogP 5.69
    HBond donors 1
    HBond acceptors 6
    Atoms 53
    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 canSAR2205597.