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canSAR150095
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NAMES
    SMILES
    CCCc1nn(-c2ccccc2C(F)(F)F)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
    InChI
    InChI=1S/C28H23F3N6O2/c1-2-7-23-21(25(27(38)39)37(34-23)24-11-6-5-10-22(24)28(29,30)31)16-17-12-14-18(15-13-17)19-8-3-4-9-20(19)26-32-35-36-33-26/h3-6,8-15H,2,7,16H2,1H3,(H,38,39)(H,32,33,35,36)
    MOLECULAR FORMULA
    C28H23F3N6O2
    CROSS REFERENCES
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    canSAR150095

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 532.18
    AlogP 5.98
    HBond donors 2
    HBond acceptors 8
    Atoms 62
    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 canSAR150095.