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canSAR1990466
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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    canSAR1990466

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 650.04
    AlogP 0.41
    HBond donors 5
    HBond acceptors 11
    Atoms 63
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1990466.