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canSAR1530013
FEATURES
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NAMES
    SMILES
    C[C@]12CN(S(=O)(=O)c3ccccn3)C[C@](C)(O1)c1c2c(O)n(-c2ccc(C#N)c(C(F)(F)F)c2)c1O
    InChI
    InChI=1S/C23H19F3N4O5S/c1-21-11-29(36(33,34)16-5-3-4-8-28-16)12-22(2,35-21)18-17(21)19(31)30(20(18)32)14-7-6-13(10-27)15(9-14)23(24,25)26/h3-9,31-32H,11-12H2,1-2H3/t21-,22+
    MOLECULAR FORMULA
    C23H19F3N4O5S
    CROSS REFERENCES
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    canSAR1530013

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.10
    AlogP 3.34
    HBond donors 2
    HBond acceptors 9
    Atoms 55
    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 canSAR1530013.