canSAR2095649
FEATURES
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NAMES
    SMILES
    O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C(=O)NC1CCCCC1
    InChI
    InChI=1S/C33H39FN4O5/c34-25-16-13-23(14-17-25)20-28(37-29(39)18-15-22-8-3-1-4-9-22)32(42)38-27(21-24-10-7-19-35-31(24)41)30(40)33(43)36-26-11-5-2-6-12-26/h1,3-4,8-9,13-18,24,26-28H,2,5-7,10-12,19-21H2,(H,35,41)(H,36,43)(H,37,39)(H,38,42)/b18-15+/t24-,27-,28-/m0/s1
    MOLECULAR FORMULA
    C33H39FN4O5
    CROSS REFERENCES
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    canSAR2095649
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight590.29
    AlogP2.99
    HBond donors4
    HBond acceptors9
    Atoms82
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095649.