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canSAR142956
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NAMES
    SMILES
    Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCCC2CCCCCN2)c1
    InChI
    InChI=1S/C25H28ClN3O4/c1-15-10-16(2)12-17(11-15)23-24(33-9-7-18-6-4-3-5-8-27-18)19-13-22(29(31)32)20(26)14-21(19)28-25(23)30/h10-14,18,27H,3-9H2,1-2H3,(H,28,30)
    MOLECULAR FORMULA
    C25H28ClN3O4
    CROSS REFERENCES
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    canSAR142956

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 469.18
    AlogP 6.09
    HBond donors 2
    HBond acceptors 7
    Atoms 61
    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 canSAR142956.