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canSAR2000018
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NAMES
    SMILES
    N#Cc1nccc(N2C[C@@H](S(=O)(=O)c3ccccc3C(F)(F)F)C[C@@H]2CN2CCC(F)(F)C2)n1
    InChI
    InChI=1S/C21H20F5N5O2S/c22-20(23)6-8-30(13-20)11-14-9-15(12-31(14)19-5-7-28-18(10-27)29-19)34(32,33)17-4-2-1-3-16(17)21(24,25)26/h1-5,7,14-15H,6,8-9,11-13H2/t14-,15+/m1/s1
    MOLECULAR FORMULA
    C21H20F5N5O2S
    CROSS REFERENCES
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    canSAR2000018

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.13
    AlogP 3.13
    HBond donors 0
    HBond acceptors 7
    Atoms 54
    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 canSAR2000018.