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canSAR1014704
FEATURES
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NAMES
    SMILES
    O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O)c1ccc(F)cc1
    InChI
    InChI=1S/C22H24FN3O6S/c23-15-8-6-14(7-9-15)19(28)24-16(10-13-4-2-1-3-5-13)20(29)26-18(12-33)21(30)25-17(11-27)22(31)32/h1-9,16-18,27,33H,10-12H2,(H,24,28)(H,25,30)(H,26,29)(H,31,32)/t16-,17-,18-/m0/s1
    MOLECULAR FORMULA
    C22H24FN3O6S
    CROSS REFERENCES
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    canSAR1014704

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.14
    AlogP 0.14
    HBond donors 5
    HBond acceptors 9
    Atoms 57
    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 canSAR1014704.