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canSAR565469
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NAMES
    SMILES
    Cl.O=C(O)[C@@H]1CCCN(CCOC=C(c2cccc(Cl)c2)c2cccc(Cl)c2)C1
    InChI
    InChI=1S/C22H23Cl2NO3.ClH/c23-19-7-1-4-16(12-19)21(17-5-2-8-20(24)13-17)15-28-11-10-25-9-3-6-18(14-25)22(26)27;/h1-2,4-5,7-8,12-13,15,18H,3,6,9-11,14H2,(H,26,27);1H/t18-;/m1./s1
    MOLECULAR FORMULA
    C22H24Cl3NO3
    CROSS REFERENCES
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    canSAR565469

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.08
    AlogP 5.62
    HBond donors 1
    HBond acceptors 4
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR565469.