canSAR2230865
FEATURES
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NAMES
    SMILES
    O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1
    InChI
    InChI=1S/C21H18F3N5O4S/c22-21(23,24)34(32,33)17-3-1-15(2-4-17)28-20(31)13-7-18(14-8-25-12-26-9-14)19(27-10-13)29-6-5-16(30)11-29/h1-4,7-10,12,16,30H,5-6,11H2,(H,28,31)/t16-/m1/s1
    MOLECULAR FORMULA
    C21H18F3N5O4S
    CROSS REFERENCES
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    canSAR2230865
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight493.10
    AlogP2.66
    HBond donors2
    HBond acceptors9
    Atoms52
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2230865.