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canSAR503974
FEATURES
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NAMES
    SMILES
    CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ncccn2)CCc2ccccc21
    InChI
    InChI=1S/C28H28F3N5O4/c1-17(2)36-22-10-5-3-8-18(22)12-13-20(27(36)39)34-25(37)21(35-26(38)24-32-14-7-15-33-24)16-19-9-4-6-11-23(19)40-28(29,30)31/h3-11,14-15,17,20-21H,12-13,16H2,1-2H3,(H,34,37)(H,35,38)/t20-,21-/m1/s1
    MOLECULAR FORMULA
    C28H28F3N5O4
    CROSS REFERENCES
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    canSAR503974

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 555.21
    AlogP 3.59
    HBond donors 2
    HBond acceptors 9
    Atoms 68
    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 canSAR503974.