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canSAR198899
FEATURES
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NAMES
    SMILES
    CSc1cccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)c1
    InChI
    InChI=1S/C20H19N3O4S/c1-28-18-4-2-3-16(9-18)15-7-5-14(6-8-15)12-26-17-10-22-11-19(23(24)25)21-20(22)27-13-17/h2-9,11,17H,10,12-13H2,1H3/t17-/m0/s1
    MOLECULAR FORMULA
    C20H19N3O4S
    CROSS REFERENCES
    198899 logo

    canSAR198899

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 397.11
    AlogP 4.16
    HBond donors 0
    HBond acceptors 7
    Atoms 47
    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 canSAR198899.