canSAR2098729
FEATURES
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NAMES
    SMILES
    Cc1ccc(-c2cc(C(=O)N[C@H](C)CO)cc(-c3nsnc3C(C)C)c2)nc1
    InChI
    InChI=1S/C21H24N4O2S/c1-12(2)19-20(25-28-24-19)16-7-15(18-6-5-13(3)10-22-18)8-17(9-16)21(27)23-14(4)11-26/h5-10,12,14,26H,11H2,1-4H3,(H,23,27)/t14-/m1/s1
    MOLECULAR FORMULA
    C21H24N4O2S
    CROSS REFERENCES
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    canSAR2098729
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight396.16
    AlogP3.81
    HBond donors2
    HBond acceptors6
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2098729.