null
  CDK     0225161919
null
 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.5559    0.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -1.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -1.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704   -1.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704   -0.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849   -0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6993   -0.5868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4138   -0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4138    0.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6993    1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849    0.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1283    1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8427    0.6507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1283    1.8882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8427    2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8427    3.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8427    3.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6677    3.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0177    3.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -2.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704   -3.0618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -3.0618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -3.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -4.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -0.1743    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  2  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 
 11 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 14 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 18 20  1  0  0  0  0 
 18 21  1  0  0  0  0 
  5 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 22 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 25  1  0  0  0  0 
  3 28  1  0  0  0  0 
M  END
> <ID>
CHEBI:131167

> <NAME>
6-[5-[(cyclopropylamino)-oxomethyl]-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)-3-pyridinecarboxamide

> <STAR>
2

> <FORMULA>
C22H26FN3O2

> <MASS>
383.460

> <MONOISOTOPIC_MASS>
383.20091

> <CHARGE>
0

> <SMILES>
CC1=C(C=C(C=C1C2=NC=C(C=C2)C(=O)NCC(C)(C)C)C(=O)NC3CC3)F

> <INCHI>
InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)

> <INCHIKEY>
KKYABQBFGDZVNQ-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-42767

$$$$