canSAR858464
FEATURES
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NAMES
    SMILES
    Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)[C@@H]2C(=O)OCOC(=O)c1ccc[n+](C)c1.[I-]
    InChI
    InChI=1S/C27H26N4O7S.HI/c1-15-18(19(29-38-15)16-9-6-5-7-10-16)22(32)28-20-23(33)31-21(27(2,3)39-24(20)31)26(35)37-14-36-25(34)17-11-8-12-30(4)13-17;/h5-13,20-21,24H,14H2,1-4H3;1H/t20?,21-,24?;/m0./s1
    MOLECULAR FORMULA
    C27H27IN4O7S
    CROSS REFERENCES
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    canSAR858464
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight678.06
    AlogP-1.00
    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 canSAR858464.