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canSAR560149
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NAMES
    SMILES
    Cc1cccc(C2CN(Cc3ccco3)CCc3c2cc(O)c(O)c3Cl)c1.Cl
    InChI
    InChI=1S/C22H22ClNO3.ClH/c1-14-4-2-5-15(10-14)19-13-24(12-16-6-3-9-27-16)8-7-17-18(19)11-20(25)22(26)21(17)23;/h2-6,9-11,19,25-26H,7-8,12-13H2,1H3;1H
    MOLECULAR FORMULA
    C22H23Cl2NO3
    CROSS REFERENCES
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    canSAR560149

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.11
    AlogP 5.26
    HBond donors 2
    HBond acceptors 4
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR560149.