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canSAR1059305
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12
    InChI
    InChI=1S/C36H61N5O6/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-34(44)38-31(29-42)33(43)24-21-18-15-12-11-14-17-20-23-28-37-30-26-27-32(41(45)46)36-35(30)39-47-40-36/h21,24,26-27,31,33,37,42-43H,2-20,22-23,25,28-29H2,1H3,(H,38,44)/b24-21+/t31-,33+/m0/s1
    MOLECULAR FORMULA
    C36H61N5O6
    CROSS REFERENCES
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    canSAR1059305

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 659.46
    AlogP 8.54
    HBond donors 4
    HBond acceptors 11
    Atoms 108
    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 canSAR1059305.