164800 logo
canSAR164800
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CS(=O)(=O)c1ccc(-c2nc(NCc3nc4ccccc4[nH]3)cc(C(F)(F)F)n2)cc1
    InChI
    InChI=1S/C20H16F3N5O2S/c1-31(29,30)13-8-6-12(7-9-13)19-27-16(20(21,22)23)10-17(28-19)24-11-18-25-14-4-2-3-5-15(14)26-18/h2-10H,11H2,1H3,(H,25,26)(H,24,27,28)
    MOLECULAR FORMULA
    C20H16F3N5O2S
    CROSS REFERENCES
    164800 logo

    canSAR164800

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.10
    AlogP 4.05
    HBond donors 2
    HBond acceptors 7
    Atoms 47
    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 canSAR164800.