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canSAR1062535
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NAMES
    SMILES
    C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)NC1=S
    InChI
    InChI=1S/C21H18N2O3S/c1-2-12-23-20(25)18(19(24)22-21(23)27)13-15-8-10-17(11-9-15)26-14-16-6-4-3-5-7-16/h2-11,13H,1,12,14H2,(H,22,24,27)/b18-13+
    MOLECULAR FORMULA
    C21H18N2O3S
    CROSS REFERENCES
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    canSAR1062535

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.10
    AlogP 3.08
    HBond donors 1
    HBond acceptors 5
    Atoms 45
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1062535.