canSAR2063906
FEATURES
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NAMES
    SMILES
    O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Cn1nnc(COCCOCCOCCOCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1I)C(=O)O)C(=O)O
    InChI
    InChI=1S/C31H44IN9O16/c32-28-24(19-57-16-15-56-14-13-55-12-11-54-10-9-33-21-5-4-20(40(50)51)17-25(21)41(52)53)37-38-39(28)18-26(42)34-8-2-1-3-22(29(45)46)35-31(49)36-23(30(47)48)6-7-27(43)44/h4-5,17,22-23,33H,1-3,6-16,18-19H2,(H,34,42)(H,43,44)(H,45,46)(H,47,48)(H2,35,36,49)/t22-,23-/m0/s1
    MOLECULAR FORMULA
    C31H44IN9O16
    CROSS REFERENCES
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    canSAR2063906
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight925.20
    AlogP0.73
    HBond donors7
    HBond acceptors25
    Atoms101
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2063906.