canSAR2080096
FEATURES
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NAMES
    SMILES
    COCCN1C[C@@H]2CN(Cc3ccoc3)CCC[C@]2(C(=O)O)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C17H26N2O4.2C2HF3O2/c1-22-8-6-19-11-15-10-18(9-14-3-7-23-12-14)5-2-4-17(15,13-19)16(20)21;2*3-2(4,5)1(6)7/h3,7,12,15H,2,4-6,8-11,13H2,1H3,(H,20,21);2*(H,6,7)/t15-,17-;;/m0../s1
    MOLECULAR FORMULA
    C21H28F6N2O8
    CROSS REFERENCES
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    canSAR2080096
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight550.17
    AlogP2.79
    HBond donors3
    HBond acceptors10
    Atoms65
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080096.