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canSAR1719418
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NAMES
    SMILES
    [NH3+][C@@H](CS)C(=O)Nc1ccc(NC(=O)Cc2ccc3ccccc3c2)c(C(=O)c2ccccc2)c1
    InChI
    InChI=1S/C28H25N3O3S/c29-24(17-35)28(34)30-22-12-13-25(23(16-22)27(33)20-7-2-1-3-8-20)31-26(32)15-18-10-11-19-6-4-5-9-21(19)14-18/h1-14,16,24,35H,15,17,29H2,(H,30,34)(H,31,32)/p+1/t24-/m0/s1
    MOLECULAR FORMULA
    C28H26N3O3S+
    CROSS REFERENCES
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    canSAR1719418

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.17
    AlogP 3.73
    HBond donors 5
    HBond acceptors 6
    Atoms 61
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1719418.