null
  CDK     0224162323
null
 28 31  0  0  0  0  0  0  0  0999 V2000
   -3.9847   -2.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3078   -3.4170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3882   -4.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5650   -2.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8256   -3.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0281   -3.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1463   -3.3279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8358   -2.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7804   -1.9732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2968   -3.7506    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1663   -4.5652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7217   -5.1752    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5450   -5.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0161   -4.4439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8186   -4.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2337   -5.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3854   -4.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1496   -3.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3470   -3.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7802   -3.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0151   -3.3448    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6396   -4.2233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6994   -4.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5308   -3.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0289   -2.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759   -2.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6314   -5.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4053   -6.1685    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 
  2  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
 10  8  1  1  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  1  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 15 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 14  1  0  0  0  0 
 21 20  1  1  0  0  0 
 21 10  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 12  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 24  1  0  0  0  0 
 11 27  1  6  0  0  0 
 27 28  1  0  0  0  0 
M  END
> <ID>
CHEBI:102666

> <NAME>
LSM-14013

> <STAR>
2

> <FORMULA>
C21H32N4O3

> <MASS>
388.505

> <MONOISOTOPIC_MASS>
388.24744

> <CHARGE>
0

> <SMILES>
CN(C)CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=O)C=CC=C3[C@H]1N2CC4CC4)CO

> <INCHI>
InChI=1S/C21H32N4O3/c1-23(2)10-4-9-22-21(28)19-15(13-26)17-12-24-16(5-3-6-18(24)27)20(19)25(17)11-14-7-8-14/h3,5-6,14-15,17,19-20,26H,4,7-13H2,1-2H3,(H,22,28)/t15-,17-,19+,20+/m0/s1

> <INCHIKEY>
FYGCWFQCJMSVAD-SMMRIJLZSA-N

> <LINCS_ACCESSION>
LSM-14013

$$$$