canSAR859050
FEATURES
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NAMES
    SMILES
    C[n+]1cc(C(=O)NCCOC(=O)C2N3C(=O)C(NC(=O)Cc4ccccc4)C3SC2(C)C)c2ccccc2c1.[I-]
    InChI
    InChI=1S/C29H30N4O5S.HI/c1-29(2)24(33-26(36)23(27(33)39-29)31-22(34)15-18-9-5-4-6-10-18)28(37)38-14-13-30-25(35)21-17-32(3)16-19-11-7-8-12-20(19)21;/h4-12,16-17,23-24,27H,13-15H2,1-3H3,(H-,30,31,34,35);1H
    MOLECULAR FORMULA
    C29H31IN4O5S
    CROSS REFERENCES
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    canSAR859050
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight674.11
    AlogP-1.27
    HBond donors2
    HBond acceptors9
    Atoms71
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR859050.