canSAR2079968
FEATURES
Loading...
NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cnc(NC[C@H]2OC[C@@H]3CCN(Cc4nccs4)C[C@H]23)nc1
    InChI
    InChI=1S/C16H21N5OS.3C2HF3O2/c1-3-18-16(19-4-1)20-8-14-13-9-21(6-2-12(13)11-22-14)10-15-17-5-7-23-15;3*3-2(4,5)1(6)7/h1,3-5,7,12-14H,2,6,8-11H2,(H,18,19,20);3*(H,6,7)/t12-,13-,14+;;;/m0.../s1
    MOLECULAR FORMULA
    C22H24F9N5O7S
    CROSS REFERENCES
    Loading...
    canSAR2079968
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight673.13
    AlogP3.78
    HBond donors4
    HBond acceptors12
    Atoms68
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079968.