canSAR2159305
FEATURES
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NAMES
    SMILES
    CCCCS(=O)(=O)N[C@H]1CC[C@H](Nc2cc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)CC1
    InChI
    InChI=1S/C23H32N8O4S/c1-2-3-10-36(34,35)30-17-8-6-15(7-9-17)25-19-12-20(26-16-4-5-16)31-21(28-19)14(13-24-31)11-18-22(32)29-23(33)27-18/h11-13,15-17,26,30H,2-10H2,1H3,(H,25,28)(H2,27,29,32,33)/b18-11-/t15-,17-
    MOLECULAR FORMULA
    C23H32N8O4S
    CROSS REFERENCES
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    canSAR2159305
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight516.23
    AlogP1.93
    HBond donors5
    HBond acceptors12
    Atoms68
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2159305.