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canSAR1690621
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NAMES
    SMILES
    Cc1nc(C(=O)Nc2ccc(Cl)cc2)sc1C1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1
    InChI
    InChI=1S/C21H17ClN4O4S/c1-12-18(31-20(23-12)19(27)24-15-8-6-14(22)7-9-15)21(2)11-17(25-30-21)13-4-3-5-16(10-13)26(28)29/h3-10H,11H2,1-2H3,(H,24,27)
    MOLECULAR FORMULA
    C21H17ClN4O4S
    CROSS REFERENCES
    1690621 logo

    canSAR1690621

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.07
    AlogP 5.31
    HBond donors 1
    HBond acceptors 8
    Atoms 48
    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 canSAR1690621.