null
  CDK     0224162204
null
 26 31  0  0  0  0  0  0  0  0999 V2000
    1.8803   -0.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182   -1.0283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8077   -0.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6708   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6305   -0.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1209   -0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2206   -0.4559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6548   -1.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8344   -1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4992   -2.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9844   -2.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8048   -2.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1400   -1.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9943   -1.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8102   -2.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4843   -2.5970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2763   -2.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487   -2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6989   -2.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7767   -1.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1043   -1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -1.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1128   -1.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6996   -0.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2809    0.0946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0800    0.9882    0.0000 C   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  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 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13  8  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14  5  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15  2  1  0  0  0  0 
 15 16  1  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 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22  5  1  0  0  0  0 
 22 17  1  0  0  0  0 
 14 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25  6  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  END
> <ID>
CHEBI:95133

> <NAME>
LSM-6401

> <STAR>
2

> <FORMULA>
C22H26N4

> <MASS>
346.469

> <MONOISOTOPIC_MASS>
346.21575

> <CHARGE>
0

> <SMILES>
CN1CCC23C4NC5=CC=CC=C5C2(C1NC6=CC=CC=C36)CCN4C

> <INCHI>
InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3

> <INCHIKEY>
XSYCDVWYEVUDKQ-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-6401

$$$$