canSAR1632041
FEATURES
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NAMES
    SMILES
    N[C@@H](CS)C(=O)SC1CC(=O)N(CCCC[C@H](NC(=O)CNC(=O)c2cccc(I)c2)C(=O)O)C1=O
    InChI
    InChI=1S/C22H27IN4O7S2/c23-13-5-3-4-12(8-13)19(30)25-10-17(28)26-15(21(32)33)6-1-2-7-27-18(29)9-16(20(27)31)36-22(34)14(24)11-35/h3-5,8,14-16,35H,1-2,6-7,9-11,24H2,(H,25,30)(H,26,28)(H,32,33)/t14-,15-,16?/m0/s1
    MOLECULAR FORMULA
    C22H27IN4O7S2
    CROSS REFERENCES
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    canSAR1632041
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight650.04
    AlogP0.41
    HBond donors5
    HBond acceptors11
    Atoms63
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632041.