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canSAR931603
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NAMES
    SMILES
    O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccc(OCc3ccccc3)nc1)C2
    InChI
    InChI=1S/C25H22N4O5/c30-29(31)23-14-28-13-21(17-34-25(28)27-23)32-16-20-8-4-5-9-22(20)19-10-11-24(26-12-19)33-15-18-6-2-1-3-7-18/h1-12,14,21H,13,15-17H2/t21-/m0/s1
    MOLECULAR FORMULA
    C25H22N4O5
    CROSS REFERENCES
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    canSAR931603

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.16
    AlogP 4.41
    HBond donors 0
    HBond acceptors 9
    Atoms 56
    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 canSAR931603.