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canSAR1647722
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NAMES
    SMILES
    FC(F)(F)c1cccc(Nc2nccc(-c3cccnc3)n2)c1.O=S(=O)(O)O
    InChI
    InChI=1S/C16H11F3N4.H2O4S/c17-16(18,19)12-4-1-5-13(9-12)22-15-21-8-6-14(23-15)11-3-2-7-20-10-11;1-5(2,3)4/h1-10H,(H,21,22,23);(H2,1,2,3,4)
    MOLECULAR FORMULA
    C16H13F3N4O4S
    CROSS REFERENCES
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    canSAR1647722

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.06
    AlogP 3.65
    HBond donors 3
    HBond acceptors 8
    Atoms 41
    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 canSAR1647722.