2096550 logo
canSAR2096550
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN(C)C[C@@H]1C[C@@H]2CN(C(=O)c3ccoc3)CC[C@@H]2N1CC1CC1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C19H29N3O2.C2HF3O2/c1-20(2)12-17-9-16-11-21(19(23)15-6-8-24-13-15)7-5-18(16)22(17)10-14-3-4-14;3-2(4,5)1(6)7/h6,8,13-14,16-18H,3-5,7,9-12H2,1-2H3;(H,6,7)/t16-,17+,18+;/m1./s1
    MOLECULAR FORMULA
    C21H30F3N3O4
    CROSS REFERENCES
    2096550 logo

    canSAR2096550

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.22
    AlogP 2.79
    HBond donors 1
    HBond acceptors 7
    Atoms 61
    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 canSAR2096550.