canSAR858089
FEATURES
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NAMES
    SMILES
    COc1cccc(OC)c1C(=O)NC1C(=O)N2C1SC(C)(C)[C@@H]2C(=O)OCOC(=O)c1ccc[n+](C)c1.[I-]
    InChI
    InChI=1S/C25H27N3O8S.HI/c1-25(2)19(24(32)36-13-35-23(31)14-8-7-11-27(3)12-14)28-21(30)18(22(28)37-25)26-20(29)17-15(33-4)9-6-10-16(17)34-5;/h6-12,18-19,22H,13H2,1-5H3;1H/t18?,19-,22?;/m0./s1
    MOLECULAR FORMULA
    C25H28IN3O8S
    CROSS REFERENCES
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    canSAR858089
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight657.06
    AlogP-1.95
    HBond donors1
    HBond acceptors11
    Atoms66
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR858089.