canSAR2095821
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(OCC2C[C@H]3OCCN(Cc4ccoc4)[C@@H]3C2)nc1
    InChI
    InChI=1S/C18H22N2O3.2C2HF3O2/c1-2-5-19-18(3-1)23-13-15-9-16-17(10-15)22-8-6-20(16)11-14-4-7-21-12-14;2*3-2(4,5)1(6)7/h1-5,7,12,15-17H,6,8-11,13H2;2*(H,6,7)/t15?,16-,17-;;/m1../s1
    MOLECULAR FORMULA
    C22H24F6N2O7
    CROSS REFERENCES
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    canSAR2095821
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight542.15
    AlogP4.00
    HBond donors2
    HBond acceptors9
    Atoms61
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095821.