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canSAR845003
FEATURES
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NAMES
    SMILES
    O=C(O)CN1C(=O)[C@@H](NC(=O)[C@@H](S)Cc2ccccc2)CCC[C@@H]1CCO
    InChI
    InChI=1S/C19H26N2O5S/c22-10-9-14-7-4-8-15(19(26)21(14)12-17(23)24)20-18(25)16(27)11-13-5-2-1-3-6-13/h1-3,5-6,14-16,22,27H,4,7-12H2,(H,20,25)(H,23,24)/t14-,15+,16+/m1/s1
    MOLECULAR FORMULA
    C19H26N2O5S
    CROSS REFERENCES
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    canSAR845003

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.16
    AlogP 0.86
    HBond donors 3
    HBond acceptors 7
    Atoms 53
    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 canSAR845003.