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canSAR1126077
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NAMES
    SMILES
    O=C(N1CCCCC1)N1CCc2nc(C#Cc3ccccc3)sc2C1
    InChI
    InChI=1S/C20H21N3OS/c24-20(22-12-5-2-6-13-22)23-14-11-17-18(15-23)25-19(21-17)10-9-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,11-15H2
    MOLECULAR FORMULA
    C20H21N3OS
    CROSS REFERENCES
    1126077 logo

    canSAR1126077

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 351.14
    AlogP 3.51
    HBond donors 0
    HBond acceptors 4
    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 canSAR1126077.