canSAR1585658
FEATURES
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NAMES
    SMILES
    C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccccc1
    InChI
    InChI=1S/C33H38N4O6S/c1-22-18-37(23(2)21-38)33(40)28-17-25(34-32(39)16-24-19-35(3)29-13-9-8-12-27(24)29)14-15-30(28)43-31(22)20-36(4)44(41,42)26-10-6-5-7-11-26/h5-15,17,19,22-23,31,38H,16,18,20-21H2,1-4H3,(H,34,39)/t22-,23+,31+/m0/s1
    MOLECULAR FORMULA
    C33H38N4O6S
    CROSS REFERENCES
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    canSAR1585658
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight618.25
    AlogP3.90
    HBond donors2
    HBond acceptors10
    Atoms82
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1585658.