canSAR858653
FEATURES
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NAMES
    SMILES
    Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)[C@@H]2C(=O)OCOC(=O)c1ccc[n+](C)c1.[I-]
    InChI
    InChI=1S/C27H24Cl2N4O7S.HI/c1-13-17(19(31-40-13)18-15(28)8-5-9-16(18)29)22(34)30-20-23(35)33-21(27(2,3)41-24(20)33)26(37)39-12-38-25(36)14-7-6-10-32(4)11-14;/h5-11,20-21,24H,12H2,1-4H3;1H/t20?,21-,24?;/m0./s1
    MOLECULAR FORMULA
    C27H25Cl2IN4O7S
    CROSS REFERENCES
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    canSAR858653
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight745.99
    AlogP0.30
    HBond donors1
    HBond acceptors11
    Atoms67
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR858653.