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canSAR220754
FEATURES
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NAMES
    SMILES
    CC(C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1)Nc1ccon1
    InChI
    InChI=1S/C22H17N3O3S/c1-16(24-21-13-14-26-25-21)7-12-20-15-23-22(29-20)28-19-10-8-18(9-11-19)27-17-5-3-2-4-6-17/h2-6,8-11,13-16H,1H3,(H,24,25)
    MOLECULAR FORMULA
    C22H17N3O3S
    CROSS REFERENCES
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    canSAR220754

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.10
    AlogP 5.57
    HBond donors 1
    HBond acceptors 6
    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 canSAR220754.