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canSAR1619050
FEATURES
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NAMES
    SMILES
    CCn1cc(-c2ccc([C@H](C)[C@H]([NH3+])C(=O)N3CC[C@H](F)C3)cc2)ccc1=O
    InChI
    InChI=1S/C21H26FN3O2/c1-3-24-12-17(8-9-19(24)26)16-6-4-15(5-7-16)14(2)20(23)21(27)25-11-10-18(22)13-25/h4-9,12,14,18,20H,3,10-11,13,23H2,1-2H3/p+1/t14-,18-,20-/m0/s1
    MOLECULAR FORMULA
    C21H27FN3O2+
    CROSS REFERENCES
    1619050 logo

    canSAR1619050

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 372.21
    AlogP 1.82
    HBond donors 3
    HBond acceptors 5
    Atoms 54
    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 canSAR1619050.