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canSAR501135
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NAMES
    SMILES
    CN(C)CCC/N=C1\CC(c2cccc(C(F)(F)F)c2)Cc2nc3ccc(Cl)cc3c(O)c21
    InChI
    InChI=1S/C25H25ClF3N3O/c1-32(2)10-4-9-30-21-12-16(15-5-3-6-17(11-15)25(27,28)29)13-22-23(21)24(33)19-14-18(26)7-8-20(19)31-22/h3,5-8,11,14,16H,4,9-10,12-13H2,1-2H3,(H,31,33)/b30-21+
    MOLECULAR FORMULA
    C25H25ClF3N3O
    CROSS REFERENCES
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    canSAR501135

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 475.16
    AlogP 6.08
    HBond donors 1
    HBond acceptors 4
    Atoms 58
    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 canSAR501135.