1099513 logo
canSAR1099513
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    N#Cc1ccccc1-c1ccc(CSc2nc(SCc3ccc([N+](=O)[O-])cc3)nc3ccccc23)cc1
    InChI
    InChI=1S/C29H20N4O2S2/c30-17-23-5-1-2-6-25(23)22-13-9-20(10-14-22)18-36-28-26-7-3-4-8-27(26)31-29(32-28)37-19-21-11-15-24(16-12-21)33(34)35/h1-16H,18-19H2
    MOLECULAR FORMULA
    C29H20N4O2S2
    CROSS REFERENCES
    1099513 logo

    canSAR1099513

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.10
    AlogP 7.66
    HBond donors 0
    HBond acceptors 6
    Atoms 57
    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 canSAR1099513.