canSAR2255142
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(Br)cc3)s2)cc1OC
    InChI
    InChI=1S/C19H17BrN4O4S2/c1-27-14-8-3-11(9-15(14)28-2)17(26)22-18-23-24-19(30-18)29-10-16(25)21-13-6-4-12(20)5-7-13/h3-9H,10H2,1-2H3,(H,21,25)(H,22,23,26)
    MOLECULAR FORMULA
    C19H17BrN4O4S2
    CROSS REFERENCES
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    canSAR2255142
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight507.99
    AlogP4.30
    HBond donors2
    HBond acceptors8
    Atoms47
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2255142.