canSAR633619
FEATURES
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NAMES
    SMILES
    COc1cccc(NC(=O)CC(=O)NNCC(=O)Nc2nnc(-c3ccc(N(CCC#N)S(=O)(=O)c4ccccc4)cc3)s2)c1
    InChI
    InChI=1S/C29H28N8O6S2/c1-43-23-8-5-7-21(17-23)32-25(38)18-26(39)34-31-19-27(40)33-29-36-35-28(44-29)20-11-13-22(14-12-20)37(16-6-15-30)45(41,42)24-9-3-2-4-10-24/h2-5,7-14,17,31H,6,16,18-19H2,1H3,(H,32,38)(H,34,39)(H,33,36,40)
    MOLECULAR FORMULA
    C29H28N8O6S2
    CROSS REFERENCES
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    canSAR633619
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight648.16
    AlogP2.91
    HBond donors4
    HBond acceptors14
    Atoms73
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR633619.