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canSAR1637880
FEATURES
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NAMES
    SMILES
    C[C@@H](c1ccc(-c2cn(C)c(=O)cc2CO)cc1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1
    InChI
    InChI=1S/C21H26FN3O3/c1-13(20(23)21(28)25-8-7-17(22)10-25)14-3-5-15(6-4-14)18-11-24(2)19(27)9-16(18)12-26/h3-6,9,11,13,17,20,26H,7-8,10,12,23H2,1-2H3/p+1/t13-,17-,20-/m0/s1
    MOLECULAR FORMULA
    C21H27FN3O3+
    CROSS REFERENCES
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    canSAR1637880

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 388.20
    AlogP 0.83
    HBond donors 4
    HBond acceptors 6
    Atoms 55
    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 canSAR1637880.