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canSAR83196
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NAMES
    SMILES
    C=C(c1ccc(C(C)(O)C(F)(F)F)cc1)N(C1CCC(c2ccccn2)CC1)C1CC1
    InChI
    InChI=1S/C25H29F3N2O/c1-17(18-6-10-20(11-7-18)24(2,31)25(26,27)28)30(22-14-15-22)21-12-8-19(9-13-21)23-5-3-4-16-29-23/h3-7,10-11,16,19,21-22,31H,1,8-9,12-15H2,2H3/t19-,21-,24-/m0/s1
    MOLECULAR FORMULA
    C25H29F3N2O
    CROSS REFERENCES
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    canSAR83196

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.22
    AlogP 6.01
    HBond donors 1
    HBond acceptors 3
    Atoms 60
    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 canSAR83196.