canSAR2094591
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.O=C1CO[C@@H]2CN(Cc3cccnc3)C[C@H]2N1Cc1ccncc1
    InChI
    InChI=1S/C18H20N4O2.3C2HF3O2/c23-18-13-24-17-12-21(9-15-2-1-5-20-8-15)11-16(17)22(18)10-14-3-6-19-7-4-14;3*3-2(4,5)1(6)7/h1-8,16-17H,9-13H2;3*(H,6,7)/t16-,17-;;;/m1.../s1
    MOLECULAR FORMULA
    C24H23F9N4O8
    CROSS REFERENCES
    Loading...
    canSAR2094591
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight666.14
    AlogP2.99
    HBond donors3
    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 canSAR2094591.