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canSAR2207248
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NAMES
    SMILES
    Oc1ccc2c(c1)CCCC(c1ccc(Cl)nc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1
    InChI
    InChI=1S/C29H30ClFN2O2/c30-28-12-7-22(18-32-28)26-4-1-3-21-17-23(34)8-11-27(21)29(26)20-5-9-24(10-6-20)35-25-13-16-33(19-25)15-2-14-31/h5-12,17-18,25,34H,1-4,13-16,19H2/t25-/m0/s1
    MOLECULAR FORMULA
    C29H30ClFN2O2
    CROSS REFERENCES
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    canSAR2207248

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 492.20
    AlogP 6.55
    HBond donors 1
    HBond acceptors 4
    Atoms 65
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2207248.