2094111 logo
canSAR2094111
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(NCc1ccco1)[C@@H]1CCO[C@@H]2CCN(c3ccncn3)C[C@H]21.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H22N4O3.C2HF3O2/c23-18(20-10-13-2-1-8-24-13)14-5-9-25-16-4-7-22(11-15(14)16)17-3-6-19-12-21-17;3-2(4,5)1(6)7/h1-3,6,8,12,14-16H,4-5,7,9-11H2,(H,20,23);(H,6,7)/t14-,15+,16-;/m1./s1
    MOLECULAR FORMULA
    C20H23F3N4O5
    CROSS REFERENCES
    2094111 logo

    canSAR2094111

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.16
    AlogP 2.25
    HBond donors 2
    HBond acceptors 9
    Atoms 55
    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 canSAR2094111.