canSAR858779
FEATURES
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NAMES
    SMILES
    Cc1onc(-c2ccccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)[C@@H]2C(=O)OCOC(=O)c1ccc[n+](C)c1.[I-]
    InChI
    InChI=1S/C27H25ClN4O7S.HI/c1-14-18(19(30-39-14)16-9-5-6-10-17(16)28)22(33)29-20-23(34)32-21(27(2,3)40-24(20)32)26(36)38-13-37-25(35)15-8-7-11-31(4)12-15;/h5-12,20-21,24H,13H2,1-4H3;1H/t20?,21-,24?;/m0./s1
    MOLECULAR FORMULA
    C27H26ClIN4O7S
    CROSS REFERENCES
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    canSAR858779
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight712.03
    AlogP-0.35
    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 canSAR858779.