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canSAR1128948
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NAMES
    SMILES
    CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2cc(F)ccc2F)N=C14
    InChI
    InChI=1S/C29H38F2N2O2/c1-5-35-25(34)28(4)12-6-11-27(3)22(28)10-14-29-17-26(2,13-9-23(27)29)24-19(29)16-33(32-24)21-15-18(30)7-8-20(21)31/h7-8,15,19,22-23H,5-6,9-14,16-17H2,1-4H3/t19-,22+,23+,26+,27-,28-,29-/m1/s1
    MOLECULAR FORMULA
    C29H38F2N2O2
    CROSS REFERENCES
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    canSAR1128948

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.29
    AlogP 6.73
    HBond donors 0
    HBond acceptors 4
    Atoms 73
    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 canSAR1128948.