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canSAR828704
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NAMES
    SMILES
    COc1cc2c(cc1OC)C(=O)C1(C2)C(c2ccccc2)C(c2ccccc2)NC12C(=O)Nc1ccc([N+](=O)[O-])cc12
    InChI
    InChI=1S/C33H27N3O6/c1-41-26-15-21-18-32(30(37)23(21)17-27(26)42-2)28(19-9-5-3-6-10-19)29(20-11-7-4-8-12-20)35-33(32)24-16-22(36(39)40)13-14-25(24)34-31(33)38/h3-17,28-29,35H,18H2,1-2H3,(H,34,38)
    MOLECULAR FORMULA
    C33H27N3O6
    CROSS REFERENCES
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    canSAR828704

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 561.19
    AlogP 5.31
    HBond donors 2
    HBond acceptors 9
    Atoms 69
    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 canSAR828704.