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canSAR164671
FEATURES
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NAMES
    SMILES
    CCC(C)NCc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1O
    InChI
    InChI=1S/C26H25Cl2N3O2/c1-3-16(2)29-15-18-12-21(14-23(26(18)32)17-4-6-19(27)7-5-17)30-24-10-11-31(33)25-13-20(28)8-9-22(24)25/h4-14,16,29-30,32H,3,15H2,1-2H3
    MOLECULAR FORMULA
    C26H25Cl2N3O2
    CROSS REFERENCES
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    canSAR164671

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 481.13
    AlogP 6.78
    HBond donors 3
    HBond acceptors 5
    Atoms 58
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR164671.