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canSAR828204
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NAMES
    SMILES
    CC(C)c1c(Nc2ccccc2)cc2c(c1[N+](=O)[O-])C[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)O)C2
    InChI
    InChI=1S/C26H32N2O4/c1-16(2)22-20(27-18-9-6-5-7-10-18)13-17-15-25(3)11-8-12-26(4,24(29)30)21(25)14-19(17)23(22)28(31)32/h5-7,9-10,13,16,21,27H,8,11-12,14-15H2,1-4H3,(H,29,30)/t21-,25-,26-/m1/s1
    MOLECULAR FORMULA
    C26H32N2O4
    CROSS REFERENCES
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    canSAR828204

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.24
    AlogP 6.46
    HBond donors 2
    HBond acceptors 6
    Atoms 64
    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 canSAR828204.