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canSAR343013
FEATURES
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NAMES
    SMILES
    CCCCCC1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1
    InChI
    InChI=1S/C21H25N3O4S/c1-2-3-4-7-13-10-11-15-17(12-13)29-21(18(15)19(22)25)23-20(26)14-8-5-6-9-16(14)24(27)28/h5-6,8-9,13H,2-4,7,10-12H2,1H3,(H2,22,25)(H,23,26)
    MOLECULAR FORMULA
    C21H25N3O4S
    CROSS REFERENCES
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    canSAR343013

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 415.16
    AlogP 4.69
    HBond donors 3
    HBond acceptors 7
    Atoms 54
    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 canSAR343013.