null
  CDK     0224162155
null
 28 32  0  0  0  0  0  0  0  0999 V2000
    7.5037    1.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9536    1.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2111    2.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6610    3.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8535    2.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5960    2.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1461    1.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8887    0.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0812    0.5562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4698    1.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5587    1.9304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7541    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9703    0.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3554    0.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5244   -0.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3082   -0.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9230   -0.1075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7432   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1535   -0.9121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0783   -1.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8365   -1.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8086   -0.8104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1973   -0.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3765   -0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063    0.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2317    1.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0524    1.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5352    0.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  2  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 12  1  0  0  0  0 
 12 13  1  1  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 12  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18  9  1  0  0  0  0 
 18 19  2  0  0  0  0 
 16 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 15 22  1  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 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 14  1  0  0  0  0 
 28 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:93261

> <NAME>
LSM-3606

> <STAR>
2

> <FORMULA>
C23H23N3O2

> <MASS>
373.448

> <MONOISOTOPIC_MASS>
373.17903

> <CHARGE>
0

> <SMILES>
CC1=CC=CC=C1CN2C(=O)[C@@H]3CC4=C(C(N3C2=O)(C)C)NC5=CC=CC=C45

> <INCHI>
InChI=1S/C23H23N3O2/c1-14-8-4-5-9-15(14)13-25-21(27)19-12-17-16-10-6-7-11-18(16)24-20(17)23(2,3)26(19)22(25)28/h4-11,19,24H,12-13H2,1-3H3/t19-/m0/s1

> <INCHIKEY>
KGGSXZOAUKHWTH-IBGZPJMESA-N

> <LINCS_ACCESSION>
LSM-3606

$$$$