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canSAR1619240
FEATURES
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NAMES
    SMILES
    O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(-c2nc3ccccc3s2)c1
    InChI
    InChI=1S/C21H15N3O4S/c25-20(13-28-18-10-3-2-9-17(18)24(26)27)22-15-7-5-6-14(12-15)21-23-16-8-1-4-11-19(16)29-21/h1-12H,13H2,(H,22,25)
    MOLECULAR FORMULA
    C21H15N3O4S
    CROSS REFERENCES
    1619240 logo

    canSAR1619240

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 405.08
    AlogP 4.89
    HBond donors 1
    HBond acceptors 7
    Atoms 44
    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 canSAR1619240.