canSAR174617
FEATURES
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NAMES
    SMILES
    CN(c1ccc(N=c2c3ccccc3[nH]c3cc(N)ccc23)cc1)S(C)(=O)=O
    InChI
    InChI=1S/C21H20N4O2S/c1-25(28(2,26)27)16-10-8-15(9-11-16)23-21-17-5-3-4-6-19(17)24-20-13-14(22)7-12-18(20)21/h3-13H,22H2,1-2H3,(H,23,24)
    MOLECULAR FORMULA
    C21H20N4O2S
    CROSS REFERENCES
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    canSAR174617
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight392.13
    AlogP3.53
    HBond donors3
    HBond acceptors6
    Atoms48
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR174617.