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canSAR1686995
FEATURES
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NAMES
    SMILES
    O=C([O-])C[C@H](O)C[C@H](O)CCn1c(C(F)(F)F)nc(-c2ccc(F)cc2)c1-c1cccnc1
    InChI
    InChI=1S/C22H21F4N3O4/c23-15-5-3-13(4-6-15)19-20(14-2-1-8-27-12-14)29(21(28-19)22(24,25)26)9-7-16(30)10-17(31)11-18(32)33/h1-6,8,12,16-17,30-31H,7,9-11H2,(H,32,33)/p-1/t16-,17-/m1/s1
    MOLECULAR FORMULA
    C22H20F4N3O4-
    CROSS REFERENCES
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    canSAR1686995

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.14
    AlogP 2.41
    HBond donors 2
    HBond acceptors 7
    Atoms 53
    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 canSAR1686995.