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canSAR1094038
FEATURES
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NAMES
    SMILES
    CS(=O)(=O)c1ccc(C(=O)NCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]
    InChI
    InChI=1S/C21H27N3O6S/c1-31(29,30)18-3-2-16(9-17(18)24(27)28)20(26)22-5-4-19(25)23-21-10-13-6-14(11-21)8-15(7-13)12-21/h2-3,9,13-15H,4-8,10-12H2,1H3,(H,22,26)(H,23,25)
    MOLECULAR FORMULA
    C21H27N3O6S
    CROSS REFERENCES
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    canSAR1094038

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.16
    AlogP 2.20
    HBond donors 2
    HBond acceptors 9
    Atoms 58
    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 canSAR1094038.