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canSAR993956
FEATURES
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NAMES
    SMILES
    O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CS)C(=O)NCCc1ccc(O)c(O)c1
    InChI
    InChI=1S/C20H22N2O6S/c23-15-4-1-12(9-17(15)25)3-6-19(27)22-14(11-29)20(28)21-8-7-13-2-5-16(24)18(26)10-13/h1-6,9-10,14,23-26,29H,7-8,11H2,(H,21,28)(H,22,27)/b6-3+/t14-/m0/s1
    MOLECULAR FORMULA
    C20H22N2O6S
    CROSS REFERENCES
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    canSAR993956

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.12
    AlogP 1.30
    HBond donors 6
    HBond acceptors 8
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR993956.