canSAR1503080
FEATURES
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NAMES
    SMILES
    NC(=O)C(CC(=O)O)NC(=O)[C@@H]1CCOc2c(I)cc([N+](=O)[O-])cc2C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1
    InChI
    InChI=1S/C27H29IN6O12/c28-16-9-13(34(44)45)8-15-22(16)46-6-5-17(25(41)31-18(23(29)39)10-21(37)38)30-26(42)19(7-12-1-3-14(36)4-2-12)32-27(43)20(11-35)33-24(15)40/h1-4,8-9,17-20,35-36H,5-7,10-11H2,(H2,29,39)(H,30,42)(H,31,41)(H,32,43)(H,33,40)(H,37,38)/t17-,18?,19-,20-/m0/s1
    MOLECULAR FORMULA
    C27H29IN6O12
    CROSS REFERENCES
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    canSAR1503080
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight756.09
    AlogP-1.56
    HBond donors9
    HBond acceptors18
    Atoms75
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503080.