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canSAR983986
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NAMES
    SMILES
    O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCc1ccc(-c3ccc(C(F)(F)F)nc3)cc1)C2
    InChI
    InChI=1S/C21H19F3N4O4/c22-21(23,24)18-8-7-16(10-25-18)15-5-3-14(4-6-15)2-1-9-31-17-11-27-12-19(28(29)30)26-20(27)32-13-17/h3-8,10,12,17H,1-2,9,11,13H2/t17-/m0/s1
    MOLECULAR FORMULA
    C21H19F3N4O4
    CROSS REFERENCES
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    canSAR983986

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.14
    AlogP 4.28
    HBond donors 0
    HBond acceptors 8
    Atoms 51
    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 canSAR983986.