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canSAR559869
FEATURES
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NAMES
    SMILES
    Cc1nccn1-c1ccc(OCCNCC(O)COc2ccc(NS(C)(=O)=O)cc2)cc1.O=P(O)(O)O
    InChI
    InChI=1S/C22H28N4O5S.H3O4P/c1-17-24-11-13-26(17)19-5-9-21(10-6-19)30-14-12-23-15-20(27)16-31-22-7-3-18(4-8-22)25-32(2,28)29;1-5(2,3)4/h3-11,13,20,23,25,27H,12,14-16H2,1-2H3;(H3,1,2,3,4)
    MOLECULAR FORMULA
    C22H31N4O9PS
    CROSS REFERENCES
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    canSAR559869

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 558.15
    AlogP 1.03
    HBond donors 6
    HBond acceptors 13
    Atoms 68
    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 canSAR559869.