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canSAR1834896
FEATURES
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NAMES
    SMILES
    CCOc1cc([C@@H]2NC(=O)NC(c3cccnc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O
    InChI
    InChI=1S/C21H18N4O5S/c1-2-30-16-9-14(8-15(20(16)26)25(28)29)19-17(13-5-7-31-11-13)18(23-21(27)24-19)12-4-3-6-22-10-12/h3-11,19,26H,2H2,1H3,(H2,23,24,27)/t19-/m0/s1
    MOLECULAR FORMULA
    C21H18N4O5S
    CROSS REFERENCES
    1834896 logo

    canSAR1834896

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.10
    AlogP 4.08
    HBond donors 3
    HBond acceptors 9
    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 canSAR1834896.