canSAR819786
FEATURES
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NAMES
    SMILES
    CCN1C(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)=NS(=O)(=O)c2ccccc21
    InChI
    InChI=1S/C18H21N5O5S/c1-2-22-15-5-3-4-6-16(15)29(26,27)19-18(22)21-11-9-20(10-12-21)13-14-7-8-17(28-14)23(24)25/h3-8H,2,9-13H2,1H3
    MOLECULAR FORMULA
    C18H21N5O5S
    CROSS REFERENCES
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    canSAR819786
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight419.13
    AlogP1.89
    HBond donors0
    HBond acceptors10
    Atoms50
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR819786.