canSAR2096916
FEATURES
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NAMES
    SMILES
    Cc1ccc(C(=O)N2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H25N3O3.2C2HF3O2/c1-13-4-5-14(11-19-13)18(22)21-12-16(20-6-9-23-10-7-20)17-15(21)3-2-8-24-17;2*3-2(4,5)1(6)7/h4-5,11,15-17H,2-3,6-10,12H2,1H3;2*(H,6,7)/t15-,16-,17+;;/m0../s1
    MOLECULAR FORMULA
    C22H27F6N3O7
    CROSS REFERENCES
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    canSAR2096916
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight559.18
    AlogP2.36
    HBond donors2
    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 canSAR2096916.