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canSAR1986810
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NAMES
    SMILES
    C=C[C@@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1(C#N)C#N
    InChI
    InChI=1S/C27H20F3N3O2S/c1-3-23-22-6-4-5-7-24(22)33(36(34,35)21-14-8-18(2)9-15-21)25(26(23,16-31)17-32)19-10-12-20(13-11-19)27(28,29)30/h3-15,23,25H,1H2,2H3/t23-,25-/m1/s1
    MOLECULAR FORMULA
    C27H20F3N3O2S
    CROSS REFERENCES
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    canSAR1986810

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 507.12
    AlogP 6.27
    HBond donors 0
    HBond acceptors 5
    Atoms 56
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1986810.