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canSAR2204802
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NAMES
    SMILES
    C[C@@H](Nc1nc(C(=O)O)nc2nc(COCc3ccccc3)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
    InChI
    InChI=1S/C28H28F3N5O3/c1-17(20-8-5-9-20)32-24-23-25(35-26(34-24)27(37)38)33-22(16-39-15-19-6-3-2-4-7-19)36(23)14-18-10-12-21(13-11-18)28(29,30)31/h2-4,6-7,10-13,17,20H,5,8-9,14-16H2,1H3,(H,37,38)(H,32,34,35)/t17-/m1/s1
    MOLECULAR FORMULA
    C28H28F3N5O3
    CROSS REFERENCES
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    canSAR2204802

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 539.21
    AlogP 5.91
    HBond donors 2
    HBond acceptors 8
    Atoms 67
    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 canSAR2204802.