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canSAR501584
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NAMES
    SMILES
    O=[N+]([O-])c1cc2c(OCCC3CCCCN3)c(-c3ccc(Cl)c(Cl)c3)c(O)nc2cc1Cl
    InChI
    InChI=1S/C22H20Cl3N3O4/c23-15-5-4-12(9-16(15)24)20-21(32-8-6-13-3-1-2-7-26-13)14-10-19(28(30)31)17(25)11-18(14)27-22(20)29/h4-5,9-11,13,26H,1-3,6-8H2,(H,27,29)
    MOLECULAR FORMULA
    C22H20Cl3N3O4
    CROSS REFERENCES
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    canSAR501584

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 495.05
    AlogP 6.39
    HBond donors 2
    HBond acceptors 7
    Atoms 52
    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 canSAR501584.