349401 logo
canSAR349401
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(CCCCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)NO
    InChI
    InChI=1S/C17H20N4O5S/c22-15(8-3-1-2-4-9-16(23)20-24)19-17-18-14(11-27-17)12-6-5-7-13(10-12)21(25)26/h5-7,10-11,24H,1-4,8-9H2,(H,20,23)(H,18,19,22)
    MOLECULAR FORMULA
    C17H20N4O5S
    CROSS REFERENCES
    349401 logo

    canSAR349401

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 392.12
    AlogP 3.50
    HBond donors 3
    HBond acceptors 9
    Atoms 47
    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 canSAR349401.