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canSAR921212
FEATURES
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NAMES
    SMILES
    CN(C)C(=O)[C@@H]([C@H]1CC[C@H](C2CCc3ncnn3C2)CC1)[C@H](N)C(=O)N1CCC(F)(F)C1
    InChI
    InChI=1S/C22H34F2N6O2/c1-28(2)20(31)18(19(25)21(32)29-10-9-22(23,24)12-29)15-5-3-14(4-6-15)16-7-8-17-26-13-27-30(17)11-16/h13-16,18-19H,3-12,25H2,1-2H3/t14-,15-,16?,18-,19-/m0/s1
    MOLECULAR FORMULA
    C22H34F2N6O2
    CROSS REFERENCES
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    canSAR921212

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.27
    AlogP 1.55
    HBond donors 2
    HBond acceptors 8
    Atoms 66
    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 canSAR921212.