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canSAR1968621
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NAMES
    SMILES
    CCOc1ccc2nc(N(CCN(CC)CC)C(=O)c3cccc([N+](=O)[O-])c3)sc2c1.Cl
    InChI
    InChI=1S/C22H26N4O4S.ClH/c1-4-24(5-2)12-13-25(21(27)16-8-7-9-17(14-16)26(28)29)22-23-19-11-10-18(30-6-3)15-20(19)31-22;/h7-11,14-15H,4-6,12-13H2,1-3H3;1H
    MOLECULAR FORMULA
    C22H27ClN4O4S
    CROSS REFERENCES
    1968621 logo

    canSAR1968621

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.14
    AlogP 5.01
    HBond donors 0
    HBond acceptors 8
    Atoms 59
    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 canSAR1968621.