1507170 logo
canSAR1507170
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(CSc1nnnn1-c1ccc(Cl)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C16H12ClN7O4S/c17-11-3-7-12(8-4-11)23-16(20-21-22-23)29-9-14(25)18-19-15(26)10-1-5-13(6-2-10)24(27)28/h1-8H,9H2,(H,18,25)(H,19,26)
    MOLECULAR FORMULA
    C16H12ClN7O4S
    CROSS REFERENCES
    1507170 logo

    canSAR1507170

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.04
    AlogP 1.78
    HBond donors 2
    HBond acceptors 11
    Atoms 41
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1507170.