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canSAR843621
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NAMES
    SMILES
    O=S(=O)(Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)c1ccc(OC(F)(F)F)cc1
    InChI
    InChI=1S/C20H20F3N3O3S/c21-20(22,23)29-16-4-6-17(7-5-16)30(27,28)26-15-3-8-19-18(11-15)13(12-25-19)10-14-2-1-9-24-14/h3-8,11-12,14,24-26H,1-2,9-10H2/t14-/m1/s1
    MOLECULAR FORMULA
    C20H20F3N3O3S
    CROSS REFERENCES
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    canSAR843621

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.12
    AlogP 4.16
    HBond donors 3
    HBond acceptors 6
    Atoms 50
    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 canSAR843621.