canSAR2095906
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.c1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCCN2CCCC2)ccn1
    InChI
    InChI=1S/C19H29N3O2.3C2HF3O2/c1-2-10-21(9-1)11-13-23-18-4-3-17-19(18)24-14-12-22(17)15-16-5-7-20-8-6-16;3*3-2(4,5)1(6)7/h5-8,17-19H,1-4,9-15H2;3*(H,6,7)/t17-,18+,19+;;;/m0.../s1
    MOLECULAR FORMULA
    C25H32F9N3O8
    CROSS REFERENCES
    Loading...
    canSAR2095906
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight673.20
    AlogP3.83
    HBond donors3
    HBond acceptors11
    Atoms77
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095906.