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canSAR2088451
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=S(=O)(c1cccs1)N1CC[C@H](O)[C@@H]1Cc1ccncc1
    InChI
    InChI=1S/C14H16N2O3S2.C2HF3O2/c17-13-5-8-16(21(18,19)14-2-1-9-20-14)12(13)10-11-3-6-15-7-4-11;3-2(4,5)1(6)7/h1-4,6-7,9,12-13,17H,5,8,10H2;(H,6,7)/t12-,13-;/m0./s1
    MOLECULAR FORMULA
    C16H17F3N2O5S2
    CROSS REFERENCES
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    canSAR2088451

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.05
    AlogP 2.14
    HBond donors 2
    HBond acceptors 7
    Atoms 45
    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 canSAR2088451.