canSAR416395
FEATURES
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NAMES
    SMILES
    COC(=O)C(CCSC)/N=C1\C(=O)C2=C(C(O)=C1C)N1CC3NC3[C@]1(OC)C2COC(N)=O
    InChI
    InChI=1S/C21H28N4O7S/c1-9-14(23-11(5-6-33-4)19(28)30-2)17(27)13-10(8-32-20(22)29)21(31-3)18-12(24-18)7-25(21)15(13)16(9)26/h10-12,18,24,26H,5-8H2,1-4H3,(H2,22,29)/b23-14-/t10?,11?,12?,18?,21-/m1/s1
    MOLECULAR FORMULA
    C21H28N4O7S
    CROSS REFERENCES
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    canSAR416395
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight480.17
    AlogP0.11
    HBond donors4
    HBond acceptors11
    Atoms61
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR416395.