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canSAR1060553
FEATURES
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NAMES
    SMILES
    CN1C[C@H](c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1
    InChI
    InChI=1S/C28H27F3N4O2/c1-35-16-22(23(17-35)27(37)33-21-13-11-20(12-14-21)28(29,30)31)19-9-6-18(7-10-19)8-15-26(36)34-25-5-3-2-4-24(25)32/h2-15,22-23H,16-17,32H2,1H3,(H,33,37)(H,34,36)/b15-8+/t22-,23+/m1/s1
    MOLECULAR FORMULA
    C28H27F3N4O2
    CROSS REFERENCES
    1060553 logo

    canSAR1060553

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 508.21
    AlogP 5.22
    HBond donors 4
    HBond acceptors 6
    Atoms 64
    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 canSAR1060553.