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canSAR2049990
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NAMES
    SMILES
    CC[C@@H](C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cc2cc(F)ccc2o1
    InChI
    InChI=1S/C22H20FN3O3/c1-4-12(2)26(3)21-20(19-11-14-9-15(23)6-8-18(14)29-19)24-16-7-5-13(22(27)28)10-17(16)25-21/h5-12H,4H2,1-3H3,(H,27,28)/t12-/m1/s1
    MOLECULAR FORMULA
    C22H20FN3O3
    CROSS REFERENCES
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    canSAR2049990

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.15
    AlogP 5.12
    HBond donors 1
    HBond acceptors 6
    Atoms 49
    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 canSAR2049990.