canSAR2095985
FEATURES
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NAMES
    SMILES
    COc1cc(C(=O)N[C@H]2C(O)O[C@H](CNS(=O)(=O)c3cccc(Cl)c3Cl)[C@@H](O)[C@@H]2O)cc(-c2ccc(C#N)cc2)c1
    InChI
    InChI=1S/C27H25Cl2N3O8S/c1-39-18-10-16(15-7-5-14(12-30)6-8-15)9-17(11-18)26(35)32-23-25(34)24(33)20(40-27(23)36)13-31-41(37,38)21-4-2-3-19(28)22(21)29/h2-11,20,23-25,27,31,33-34,36H,13H2,1H3,(H,32,35)/t20-,23-,24-,25-,27?/m1/s1
    MOLECULAR FORMULA
    C27H25Cl2N3O8S
    CROSS REFERENCES
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    canSAR2095985
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight621.07
    AlogP2.06
    HBond donors5
    HBond acceptors11
    Atoms66
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095985.