null
  CDK     0224162307
null
 27 31  0  0  0  0  0  0  0  0999 V2000
   -2.4076    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6101    1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0283    0.8851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2440    0.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414   -0.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2571   -0.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0546   -1.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6364   -0.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4207    0.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6232    0.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2308    1.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0152    1.8928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    0.5115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0764   -0.2665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5134   -0.9662    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3330   -1.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9179   -0.4790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6732   -0.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7634   -1.6310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3383   -0.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2481    0.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4929    0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8277    0.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1304    0.7819    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6034   -0.0150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7437   -0.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0756   -1.1119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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  6  2  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  5  1  0  0  0  0 
 10  1  1  0  0  0  0 
  3 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 13 11  1  1  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  1  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 18 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 17  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 13  1  0  0  0  0 
 24 25  1  6  0  0  0 
 25 15  1  0  0  0  0 
 14 26  1  6  0  0  0 
 26 27  1  0  0  0  0 
M  END
> <ID>
CHEBI:100048

> <NAME>
LSM-11427

> <STAR>
2

> <FORMULA>
C21H23N3O3

> <MASS>
365.426

> <MONOISOTOPIC_MASS>
365.17394

> <CHARGE>
0

> <SMILES>
C1CN(CC2=CC=CC=C21)C(=O)[C@@H]3[C@H]([C@@H]4CN5C(=O)C=CC=C5[C@H]3N4)CO

> <INCHI>
InChI=1S/C21H23N3O3/c25-12-15-16-11-24-17(6-3-7-18(24)26)20(22-16)19(15)21(27)23-9-8-13-4-1-2-5-14(13)10-23/h1-7,15-16,19-20,22,25H,8-12H2/t15-,16-,19+,20+/m0/s1

> <INCHIKEY>
WCVQZBWBNHVCOB-XAMWDVODSA-N

> <LINCS_ACCESSION>
LSM-11427

$$$$