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canSAR2051485
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NAMES
    SMILES
    COc1ccc(-c2nc3ccc(S(N)(=O)=O)cc3nc2-c2ccc(OC)cc2)cc1
    InChI
    InChI=1S/C22H19N3O4S/c1-28-16-7-3-14(4-8-16)21-22(15-5-9-17(29-2)10-6-15)25-20-13-18(30(23,26)27)11-12-19(20)24-21/h3-13H,1-2H3,(H2,23,26,27)
    MOLECULAR FORMULA
    C22H19N3O4S
    CROSS REFERENCES
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    canSAR2051485

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.11
    AlogP 3.63
    HBond donors 2
    HBond acceptors 7
    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 canSAR2051485.