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canSAR1130697
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NAMES
    SMILES
    N=c1scc(-c2ccccc2)n1CC(=O)N1CCN(c2ccccc2)CC1
    InChI
    InChI=1S/C21H22N4OS/c22-21-25(19(16-27-21)17-7-3-1-4-8-17)15-20(26)24-13-11-23(12-14-24)18-9-5-2-6-10-18/h1-10,16,22H,11-15H2
    MOLECULAR FORMULA
    C21H22N4OS
    CROSS REFERENCES
    1130697 logo

    canSAR1130697

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.15
    AlogP 3.04
    HBond donors 1
    HBond acceptors 5
    Atoms 49
    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 canSAR1130697.