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canSAR1860864
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NAMES
    SMILES
    CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccccc1Sc1ccccc1C#N
    InChI
    InChI=1S/C25H23N3O3S/c1-3-28(17-24(29)27-19-12-14-20(31-2)15-13-19)25(30)21-9-5-7-11-23(21)32-22-10-6-4-8-18(22)16-26/h4-15H,3,17H2,1-2H3,(H,27,29)
    MOLECULAR FORMULA
    C25H23N3O3S
    CROSS REFERENCES
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    canSAR1860864

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.15
    AlogP 4.82
    HBond donors 1
    HBond acceptors 6
    Atoms 55
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1860864.