canSAR1417480
FEATURES
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NAMES
    SMILES
    Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1
    InChI
    InChI=1S/C20H20N4O4S/c1-14-4-5-15(2)18(12-14)28-13-19(25)23-16-6-8-17(9-7-16)29(26,27)24-20-21-10-3-11-22-20/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)
    MOLECULAR FORMULA
    C20H20N4O4S
    CROSS REFERENCES
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    canSAR1417480
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight412.12
    AlogP2.91
    HBond donors2
    HBond acceptors8
    Atoms49
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417480.