canSAR1708890
FEATURES
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NAMES
    SMILES
    CN1CCN(S(=O)(=O)c2ccc(N3CCN(c4ccccc4O)CC3)c([N+](=O)[O-])c2)CC1
    InChI
    InChI=1S/C21H27N5O5S/c1-22-8-14-25(15-9-22)32(30,31)17-6-7-18(20(16-17)26(28)29)23-10-12-24(13-11-23)19-4-2-3-5-21(19)27/h2-7,16,27H,8-15H2,1H3
    MOLECULAR FORMULA
    C21H27N5O5S
    CROSS REFERENCES
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    canSAR1708890
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight461.17
    AlogP1.56
    HBond donors1
    HBond acceptors10
    Atoms59
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1708890.