canSAR540834
FEATURES
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NAMES
    SMILES
    CC(=O)c1sc(SC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)/C(=N/OCCF)c4csc(N)n4)[C@H]3CC2)nc1C
    InChI
    InChI=1S/C21H21FN6O6S3/c1-8-16(9(2)29)37-21(24-8)36-12-4-3-11-14(18(31)28(11)15(12)19(32)33)26-17(30)13(27-34-6-5-22)10-7-35-20(23)25-10/h7,11,14H,3-6H2,1-2H3,(H2,23,25)(H,26,30)(H,32,33)/b27-13+/t11-,14+/m1/s1
    MOLECULAR FORMULA
    C21H21FN6O6S3
    CROSS REFERENCES
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    canSAR540834
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight568.07
    AlogP1.96
    HBond donors4
    HBond acceptors12
    Atoms58
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR540834.