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canSAR2050447
FEATURES
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NAMES
    SMILES
    Cc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccc(F)cc3)cc2)cc1-c1nc2ccccc2[nH]1
    InChI
    InChI=1S/C29H23FN4O2S/c1-18-6-13-22(16-24(18)27-32-25-4-2-3-5-26(25)33-27)31-29(37)34-28(35)20-9-14-23(15-10-20)36-17-19-7-11-21(30)12-8-19/h2-16H,17H2,1H3,(H,32,33)(H2,31,34,35,37)
    MOLECULAR FORMULA
    C29H23FN4O2S
    CROSS REFERENCES
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    canSAR2050447

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 510.15
    AlogP 6.38
    HBond donors 3
    HBond acceptors 6
    Atoms 60
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2050447.