1113245 logo
canSAR1113245
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cn1cc(-c2ccc(C(F)(F)F)cc2-c2ccn[nH]2)c2ccc(S(=O)(=O)Nc3ncns3)cc21
    InChI
    InChI=1S/C21H15F3N6O2S2/c1-30-10-17(14-4-2-12(21(22,23)24)8-16(14)18-6-7-26-28-18)15-5-3-13(9-19(15)30)34(31,32)29-20-25-11-27-33-20/h2-11H,1H3,(H,26,28)(H,25,27,29)
    MOLECULAR FORMULA
    C21H15F3N6O2S2
    CROSS REFERENCES
    1113245 logo

    canSAR1113245

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 504.07
    AlogP 4.91
    HBond donors 2
    HBond acceptors 8
    Atoms 49
    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 canSAR1113245.