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canSAR1968856
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NAMES
    SMILES
    CC(C)[C@H](CO)NCc1ccnc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)n1
    InChI
    InChI=1S/C17H20F3N3O3S/c1-11(2)15(10-24)22-9-13-7-8-21-16(23-13)12-3-5-14(6-4-12)27(25,26)17(18,19)20/h3-8,11,15,22,24H,9-10H2,1-2H3/t15-/m0/s1
    MOLECULAR FORMULA
    C17H20F3N3O3S
    CROSS REFERENCES
    1968856 logo

    canSAR1968856

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.12
    AlogP 2.54
    HBond donors 2
    HBond acceptors 6
    Atoms 47
    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 canSAR1968856.