1101917 logo
canSAR1101917
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc2c(c1)nc(Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])n2Cc1cc(-c2ccc(C#N)cc2)no1
    InChI
    InChI=1S/C25H16N6O6S/c1-36-18-7-8-22-21(11-18)27-25(38-24-9-6-17(30(32)33)10-23(24)31(34)35)29(22)14-19-12-20(28-37-19)16-4-2-15(13-26)3-5-16/h2-12H,14H2,1H3
    MOLECULAR FORMULA
    C25H16N6O6S
    CROSS REFERENCES
    1101917 logo

    canSAR1101917

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 528.09
    AlogP 5.59
    HBond donors 0
    HBond acceptors 12
    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 canSAR1101917.