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canSAR1523363
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NAMES
    SMILES
    Cc1nc(N2CCCCC2)sc1C(=O)c1ccc(SCCO)c([N+](=O)[O-])c1
    InChI
    InChI=1S/C18H21N3O4S2/c1-12-17(27-18(19-12)20-7-3-2-4-8-20)16(23)13-5-6-15(26-10-9-22)14(11-13)21(24)25/h5-6,11,22H,2-4,7-10H2,1H3
    MOLECULAR FORMULA
    C18H21N3O4S2
    CROSS REFERENCES
    1523363 logo

    canSAR1523363

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.10
    AlogP 3.67
    HBond donors 1
    HBond acceptors 7
    Atoms 48
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1523363.