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canSAR1115072
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NAMES
    SMILES
    CCCN1C/C(=C\c2ccccc2Cl)C(=O)/C(=C/c2ccccc2Cl)C1
    InChI
    InChI=1S/C22H21Cl2NO/c1-2-11-25-14-18(12-16-7-3-5-9-20(16)23)22(26)19(15-25)13-17-8-4-6-10-21(17)24/h3-10,12-13H,2,11,14-15H2,1H3/b18-12+,19-13+
    MOLECULAR FORMULA
    C22H21Cl2NO
    CROSS REFERENCES
    1115072 logo

    canSAR1115072

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 385.10
    AlogP 5.76
    HBond donors 0
    HBond acceptors 2
    Atoms 47
    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 canSAR1115072.