canSAR2079725
FEATURES
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NAMES
    SMILES
    O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccccn1)N1CCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C19H27N3O3.2C2HF3O2/c23-18(21-9-3-4-10-21)14-25-17-7-6-16-19(17)24-12-11-22(16)13-15-5-1-2-8-20-15;2*3-2(4,5)1(6)7/h1-2,5,8,16-17,19H,3-4,6-7,9-14H2;2*(H,6,7)/t16-,17+,19+;;/m0../s1
    MOLECULAR FORMULA
    C23H29F6N3O7
    CROSS REFERENCES
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    canSAR2079725
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight573.19
    AlogP2.72
    HBond donors2
    HBond acceptors10
    Atoms68
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079725.