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canSAR791586
FEATURES
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NAMES
    SMILES
    CN1CCC23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1C5
    InChI
    InChI=1S/C26H25N3O6/c1-28-13-12-25-22-16-5-8-18(30)23(22)35-24(25)19(31)10-11-26(25,20(28)14-16)27-21(32)9-4-15-2-6-17(7-3-15)29(33)34/h2-9,20,24,30H,10-14H2,1H3,(H,27,32)/b9-4+/t20?,24-,25?,26+/m0/s1
    MOLECULAR FORMULA
    C26H25N3O6
    CROSS REFERENCES
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    canSAR791586

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 475.17
    AlogP 2.49
    HBond donors 2
    HBond acceptors 9
    Atoms 60
    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 canSAR791586.