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canSAR828947
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NAMES
    SMILES
    FC(F)(F)C(=S)N[C@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12
    InChI
    InChI=1S/C19H16ClF3N2OS/c20-11-7-8-16-14(10-11)25-9-3-5-13(24-18(27)19(21,22)23)17(25)12-4-1-2-6-15(12)26-16/h1-2,4,6-8,10,13,17H,3,5,9H2,(H,24,27)/t13-,17+/m0/s1
    MOLECULAR FORMULA
    C19H16ClF3N2OS
    CROSS REFERENCES
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    canSAR828947

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.06
    AlogP 5.64
    HBond donors 1
    HBond acceptors 3
    Atoms 43
    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 canSAR828947.