null
  CDK     0225161912
null
 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992    1.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992    1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683    2.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    2.0890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687    1.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937    1.4216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683    0.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220    0.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9894    0.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7431    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105    0.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1642    0.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2504    1.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5830    1.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8293    1.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0041    1.7170    0.0000 F   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  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9  4  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  2  1  0  0  0  0 
  3 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 13 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 11  1  0  0  0  0 
 16 17  2  0  0  0  0 
 15 18  1  0  0  0  0 
 12 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 22  1  0  0  0  0 
 25 28  1  0  0  0  0 
M  END
> <ID>
CHEBI:125616

> <NAME>
3-[2-(4-fluorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione

> <STAR>
2

> <FORMULA>
C22H20FN3O2

> <MASS>
377.412

> <MONOISOTOPIC_MASS>
377.15396

> <CHARGE>
0

> <SMILES>
CC1=C(C2=CC=CC=C2N1)C3=C(C(=O)N(C3=O)C)NCCC4=CC=C(C=C4)F

> <INCHI>
InChI=1S/C22H20FN3O2/c1-13-18(16-5-3-4-6-17(16)25-13)19-20(22(28)26(2)21(19)27)24-12-11-14-7-9-15(23)10-8-14/h3-10,24-25H,11-12H2,1-2H3

> <INCHIKEY>
ZKJAZFUFPPSFCO-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-37170

$$$$