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canSAR2208837
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NAMES
    SMILES
    Oc1ccc2c(c1)CCCC(c1ccc(Cl)nc1Cl)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1
    InChI
    InChI=1S/C29H29Cl2FN2O2/c30-27-12-11-26(29(31)33-27)25-4-1-3-20-17-21(35)7-10-24(20)28(25)19-5-8-22(9-6-19)36-23-13-16-34(18-23)15-2-14-32/h5-12,17,23,35H,1-4,13-16,18H2/t23-/m0/s1
    MOLECULAR FORMULA
    C29H29Cl2FN2O2
    CROSS REFERENCES
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    canSAR2208837

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 526.16
    AlogP 7.20
    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 canSAR2208837.