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canSAR1087684
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NAMES
    SMILES
    O[C@@H](COc1ccc(Cl)cc1)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
    InChI
    InChI=1S/C20H23Cl3N2O2/c21-16-2-4-18(5-3-16)27-14-17(26)13-25-9-7-24(8-10-25)12-15-1-6-19(22)20(23)11-15/h1-6,11,17,26H,7-10,12-14H2/t17-/m1/s1
    MOLECULAR FORMULA
    C20H23Cl3N2O2
    CROSS REFERENCES
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    canSAR1087684

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.08
    AlogP 4.20
    HBond donors 1
    HBond acceptors 4
    Atoms 50
    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 canSAR1087684.