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canSAR1063115
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NAMES
    SMILES
    O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cc(F)ccc2o1
    InChI
    InChI=1S/C22H22FN3O2/c23-17-3-4-19-16(11-17)12-20(28-19)22(27)25-21-15-5-8-26(9-6-15)18(21)10-14-2-1-7-24-13-14/h1-4,7,11-13,15,18,21H,5-6,8-10H2,(H,25,27)/t18-,21+/m0/s1
    MOLECULAR FORMULA
    C22H22FN3O2
    CROSS REFERENCES
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    canSAR1063115

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 379.17
    AlogP 3.40
    HBond donors 1
    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 canSAR1063115.