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canSAR2004406
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NAMES
    SMILES
    Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCC(F)(F)C5)cc4F)c3c2)nc1
    InChI
    InChI=1S/C32H33F3N4O3/c1-20-6-8-22(36-16-20)18-42-24-10-11-28-29(15-24)39(30(37-28)25-4-2-3-5-26(25)31(40)41)17-21-7-9-23(14-27(21)33)38-13-12-32(34,35)19-38/h6-11,14-16,25-26H,2-5,12-13,17-19H2,1H3,(H,40,41)/t25-,26+/m1/s1
    MOLECULAR FORMULA
    C32H33F3N4O3
    CROSS REFERENCES
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    canSAR2004406

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 578.25
    AlogP 6.71
    HBond donors 1
    HBond acceptors 7
    Atoms 75
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2004406.