canSAR1711971
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](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N1
    InChI
    InChI=1S/C23H27IN6O13/c24-11-6-9(30(41)42)5-10-18(11)43-4-3-13(22(39)28-14(19(25)36)7-17(34)35)27-23(40)15(8-31)29-21(38)12(26-20(10)37)1-2-16(32)33/h5-6,12-15,31H,1-4,7-8H2,(H2,25,36)(H,26,37)(H,27,40)(H,28,39)(H,29,38)(H,32,33)(H,34,35)/t12-,13-,14?,15-/m0/s1
    MOLECULAR FORMULA
    C23H27IN6O13
    CROSS REFERENCES
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    canSAR1711971
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight722.07
    AlogP-2.65
    HBond donors9
    HBond acceptors19
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1711971.