2096592 logo
canSAR2096592
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cn1cc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccco3)C2)cn1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C17H22N4O3.C2HF3O2/c1-20-6-13(5-19-20)7-21-8-14-9-23-12-17(14,11-21)10-18-16(22)15-3-2-4-24-15;3-2(4,5)1(6)7/h2-6,14H,7-12H2,1H3,(H,18,22);(H,6,7)/t14-,17+;/m1./s1
    MOLECULAR FORMULA
    C19H23F3N4O5
    CROSS REFERENCES
    2096592 logo

    canSAR2096592

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.16
    AlogP 1.52
    HBond donors 2
    HBond acceptors 9
    Atoms 54
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096592.