canSAR1830913
FEATURES
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NAMES
    SMILES
    Cc1ccccc1Nc1nn2c(=O)c3ccc(C(=O)NCc4cccs4)cc3nc2s1
    InChI
    InChI=1S/C22H17N5O2S2/c1-13-5-2-3-7-17(13)24-21-26-27-20(29)16-9-8-14(11-18(16)25-22(27)31-21)19(28)23-12-15-6-4-10-30-15/h2-11H,12H2,1H3,(H,23,28)(H,24,26)
    MOLECULAR FORMULA
    C22H17N5O2S2
    CROSS REFERENCES
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    canSAR1830913
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight447.08
    AlogP4.35
    HBond donors2
    HBond acceptors7
    Atoms48
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1830913.