null
  CDK     0224162149
null
 29 33  0  0  0  0  0  0  0  0999 V2000
   -7.2721   -2.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4471   -2.6420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0346   -1.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2096   -1.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7971   -2.6420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2096   -3.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0346   -3.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9721   -2.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5596   -1.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7346   -1.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3221   -2.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7346   -3.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5596   -3.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5152   -2.4705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1826   -1.3144    0.0000 N   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  2  1  0  0  0  0 
  5  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 
 11 14  1  0  0  0  0 
 15 14  1  4  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 21  1  0  0  0  0 
 21 16  1  0  0  0  0 
 21 22  2  0  0  0  0 
 19 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 18  1  0  0  0  0 
 26 27  1  0  0  0  0 
 17 28  1  0  0  0  0 
 15 29  1  0  0  0  0 
 29 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:91395

> <NAME>
4-amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1,3-dihydrobenzimidazol-2-ylidene]-2-quinolinone

> <STAR>
2

> <FORMULA>
C21H21FN6O

> <MASS>
392.430

> <MONOISOTOPIC_MASS>
392.17609

> <CHARGE>
0

> <SMILES>
CN1CCN(CC1)C2=CC3=C(C=C2)NC(=C4C(=C5C(=NC4=O)C=CC=C5F)N)N3

> <INCHI>
InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11,24-25H,7-10,23H2,1H3

> <INCHIKEY>
KCOYQXZDFIIGCY-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-1127

$$$$