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canSAR1087782
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NAMES
    SMILES
    O=C(N[C@@H](CO)c1ccc(OC2CCC2)nc1)[C@H]1C[C@@H]1c1ccc(F)cc1
    InChI
    InChI=1S/C21H23FN2O3/c22-15-7-4-13(5-8-15)17-10-18(17)21(26)24-19(12-25)14-6-9-20(23-11-14)27-16-2-1-3-16/h4-9,11,16-19,25H,1-3,10,12H2,(H,24,26)/t17-,18+,19+/m1/s1
    MOLECULAR FORMULA
    C21H23FN2O3
    CROSS REFERENCES
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    canSAR1087782

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 370.17
    AlogP 3.11
    HBond donors 2
    HBond acceptors 5
    Atoms 50
    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 canSAR1087782.