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canSAR343450
FEATURES
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NAMES
    SMILES
    CCCCCSC1=NC(c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C(C)N1
    InChI
    InChI=1S/C19H25N3O4S/c1-4-6-7-11-27-19-20-13(3)16(18(23)26-5-2)17(21-19)14-9-8-10-15(12-14)22(24)25/h8-10,12,17H,4-7,11H2,1-3H3,(H,20,21)
    MOLECULAR FORMULA
    C19H25N3O4S
    CROSS REFERENCES
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    canSAR343450

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.16
    AlogP 4.36
    HBond donors 1
    HBond acceptors 7
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR343450.