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canSAR1153322
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NAMES
    SMILES
    COc1cc(C2CC(C(=NNc3ccc([N+](=O)[O-])cc3)C3=NNC(c4ccc(O)c(OC)c4)C3)=NN2)ccc1O
    InChI
    InChI=1S/C27H27N7O6/c1-39-25-11-15(3-9-23(25)35)19-13-21(31-29-19)27(33-28-17-5-7-18(8-6-17)34(37)38)22-14-20(30-32-22)16-4-10-24(36)26(12-16)40-2/h3-12,19-20,28-30,35-36H,13-14H2,1-2H3
    MOLECULAR FORMULA
    C27H27N7O6
    CROSS REFERENCES
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    canSAR1153322

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 545.20
    AlogP 3.97
    HBond donors 5
    HBond acceptors 13
    Atoms 67
    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 canSAR1153322.