canSAR2096215
FEATURES
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NAMES
    SMILES
    Cn1ccnc1/C=C1/C(=O)Nc2ccc(NC(=O)Nc3ccc(S(C)(=O)=O)cc3)cc21
    InChI
    InChI=1S/C21H19N5O4S/c1-26-10-9-22-19(26)12-17-16-11-14(5-8-18(16)25-20(17)27)24-21(28)23-13-3-6-15(7-4-13)31(2,29)30/h3-12H,1-2H3,(H,25,27)(H2,23,24,28)/b17-12+
    MOLECULAR FORMULA
    C21H19N5O4S
    CROSS REFERENCES
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    canSAR2096215
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight437.12
    AlogP2.96
    HBond donors3
    HBond acceptors9
    Atoms50
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096215.