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canSAR1988892
FEATURES
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NAMES
    SMILES
    COc1ccc(NC(=O)c2nc(C)c(C3(C)CC(c4ccccc4)=NO3)s2)cc1
    InChI
    InChI=1S/C22H21N3O3S/c1-14-19(22(2)13-18(25-28-22)15-7-5-4-6-8-15)29-21(23-14)20(26)24-16-9-11-17(27-3)12-10-16/h4-12H,13H2,1-3H3,(H,24,26)
    MOLECULAR FORMULA
    C22H21N3O3S
    CROSS REFERENCES
    1988892 logo

    canSAR1988892

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.13
    AlogP 4.75
    HBond donors 1
    HBond acceptors 6
    Atoms 50
    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 canSAR1988892.