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canSAR1651064
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NAMES
    SMILES
    Cc1ccccc1-c1cc2nc(NCc3ccccc3)n(C)c(=O)c2s1
    InChI
    InChI=1S/C21H19N3OS/c1-14-8-6-7-11-16(14)18-12-17-19(26-18)20(25)24(2)21(23-17)22-13-15-9-4-3-5-10-15/h3-12H,13H2,1-2H3,(H,22,23)
    MOLECULAR FORMULA
    C21H19N3OS
    CROSS REFERENCES
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    canSAR1651064

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 361.12
    AlogP 4.58
    HBond donors 1
    HBond acceptors 4
    Atoms 45
    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 canSAR1651064.