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canSAR1129974
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NAMES
    SMILES
    O=C(c1ccccc1)n1nc(-c2ccccc2)c2c1CCN(C(=S)Nc1ccc(Cl)cc1)C2
    InChI
    InChI=1S/C26H21ClN4OS/c27-20-11-13-21(14-12-20)28-26(33)30-16-15-23-22(17-30)24(18-7-3-1-4-8-18)29-31(23)25(32)19-9-5-2-6-10-19/h1-14H,15-17H2,(H,28,33)
    MOLECULAR FORMULA
    C26H21ClN4OS
    CROSS REFERENCES
    1129974 logo

    canSAR1129974

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 472.11
    AlogP 5.65
    HBond donors 1
    HBond acceptors 5
    Atoms 54
    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 canSAR1129974.