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canSAR1112186
FEATURES
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NAMES
    SMILES
    COc1ccc2nc3cc(Cl)ccc3c(NCCCc3ccccc3)c2c1
    InChI
    InChI=1S/C23H21ClN2O/c1-27-18-10-12-21-20(15-18)23(19-11-9-17(24)14-22(19)26-21)25-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,25,26)
    MOLECULAR FORMULA
    C23H21ClN2O
    CROSS REFERENCES
    1112186 logo

    canSAR1112186

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 376.13
    AlogP 6.09
    HBond donors 1
    HBond acceptors 3
    Atoms 48
    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 canSAR1112186.