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canSAR656889
FEATURES
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NAMES
    SMILES
    CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2cc(F)ccc2O)cnc2c(C(F)(F)F)cccc12
    InChI
    InChI=1S/C30H27F4N5O3S/c1-39(2)26(41)14-20(17-43-21-7-4-3-5-8-21)37-27-22-9-6-10-24(30(32,33)34)28(22)35-16-23(27)29(42)38-36-15-18-13-19(31)11-12-25(18)40/h3-13,15-16,20,40H,14,17H2,1-2H3,(H,35,37)(H,38,42)/b36-15+/t20-/m1/s1
    MOLECULAR FORMULA
    C30H27F4N5O3S
    CROSS REFERENCES
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    canSAR656889

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 613.18
    AlogP 5.91
    HBond donors 3
    HBond acceptors 8
    Atoms 70
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR656889.