canSAR1746900
FEATURES
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NAMES
    SMILES
    C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O1
    InChI
    InChI=1S/C31H44N4O9S/c1-20-16-35(21(2)18-36)30(37)25-14-24(33-45(5,39)40)10-11-26(25)44-22(3)8-6-7-13-41-29(20)17-34(4)31(38)32-23-9-12-27-28(15-23)43-19-42-27/h9-12,14-15,20-22,29,33,36H,6-8,13,16-19H2,1-5H3,(H,32,38)/t20-,21+,22+,29+/m1/s1
    MOLECULAR FORMULA
    C31H44N4O9S
    CROSS REFERENCES
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    canSAR1746900
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight648.28
    AlogP3.75
    HBond donors3
    HBond acceptors13
    Atoms89
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746900.