null
  CDK     0225161916
null
 27 31  0  0  0  0  0  0  0  0999 V2000
    1.2182    0.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3933    0.8316    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1409    0.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3761   -0.5973    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2061    0.1193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020    0.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5479   -0.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3703   -0.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384   -1.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4840   -1.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6616   -2.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1936   -1.3262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2010   -0.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6221    0.1023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8527    0.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2738   -0.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0988   -0.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5026    0.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0816    0.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2566    0.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3276    0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7486   -0.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5736   -0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9775    0.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5564    0.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7314    0.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9946   -1.2472    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  2  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12  7  1  0  0  0  0 
  4 13  1  1  0  0  0 
 13 14  1  0  0  0  0 
 14  1  1  0  0  0  0 
  3 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 15  1  0  0  0  0 
 18 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 21  1  0  0  0  0 
 23 27  1  0  0  0  0 
M  END
> <ID>
CHEBI:129144

> <NAME>
(1S,5R)-7-[4-(3-fluorophenyl)phenyl]-6-(2-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane

> <STAR>
2

> <FORMULA>
C23H22FN3

> <MASS>
359.440

> <MONOISOTOPIC_MASS>
359.17978

> <CHARGE>
0

> <SMILES>
C1[C@@H]2C([C@@H](N2CC3=CC=CC=N3)CN1)C4=CC=C(C=C4)C5=CC(=CC=C5)F

> <INCHI>
InChI=1S/C23H22FN3/c24-19-5-3-4-18(12-19)16-7-9-17(10-8-16)23-21-13-25-14-22(23)27(21)15-20-6-1-2-11-26-20/h1-12,21-23,25H,13-15H2/t21-,22+,23?

> <INCHIKEY>
TUZDOOWQTJFFFW-AIZNXBIQSA-N

> <LINCS_ACCESSION>
LSM-40695

$$$$