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canSAR2087348
FEATURES
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NAMES
    SMILES
    Cc1occc1C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1cccnc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C19H22N2O4.C2HF3O2/c1-13-15(6-9-23-13)19(22)21-8-10-24-18-16(21)4-5-17(18)25-12-14-3-2-7-20-11-14;3-2(4,5)1(6)7/h2-3,6-7,9,11,16-18H,4-5,8,10,12H2,1H3;(H,6,7)/t16-,17+,18+;/m0./s1
    MOLECULAR FORMULA
    C21H23F3N2O6
    CROSS REFERENCES
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    canSAR2087348

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.15
    AlogP 3.21
    HBond donors 1
    HBond acceptors 8
    Atoms 55
    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 canSAR2087348.