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canSAR988120
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NAMES
    SMILES
    O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1ccc(-c3ccc(OC(F)F)cc3)cc1)C2
    InChI
    InChI=1S/C22H17F2N3O5/c23-21(24)32-18-9-7-17(8-10-18)16-5-3-15(4-6-16)2-1-11-30-19-12-26-13-20(27(28)29)25-22(26)31-14-19/h3-10,13,19,21H,11-12,14H2/t19-/m0/s1
    MOLECULAR FORMULA
    C22H17F2N3O5
    CROSS REFERENCES
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    canSAR988120

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.11
    AlogP 3.89
    HBond donors 0
    HBond acceptors 8
    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 canSAR988120.