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canSAR2049302
FEATURES
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NAMES
    SMILES
    O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCn1nnc(COCCOCCOCCOCCOCCOCCOCCOCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1I)C(=O)O)C(=O)O
    InChI
    InChI=1S/C37H57IN8O19/c38-34-31(42-43-44(34)9-2-1-3-29(35(49)50)40-37(53)41-30(36(51)52)6-7-33(47)48)26-65-24-23-64-22-21-63-20-19-62-18-17-61-16-15-60-14-13-59-12-11-58-10-8-39-28-5-4-27(45(54)55)25-32(28)46(56)57/h4-5,25,29-30,39H,1-3,6-24,26H2,(H,47,48)(H,49,50)(H,51,52)(H2,40,41,53)/t29-,30-/m0/s1
    MOLECULAR FORMULA
    C37H57IN8O19
    CROSS REFERENCES
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    canSAR2049302

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1044.28
    AlogP 1.68
    HBond donors 6
    HBond acceptors 27
    Atoms 122
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2049302.