null
  CDK     0224162204
null
 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.1633   -4.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -3.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4604   -3.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2054   -2.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536   -2.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1014   -3.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    2.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734    2.6021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8270    2.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3791    2.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9666    3.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1596    3.4225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3021    4.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9986    1.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2673   -3.2777    0.0000 C   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 
  5  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12  8  1  0  0  0  0 
 10 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16  9  1  0  0  0  0 
 13 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 18 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 21  1  0  0  0  0 
 24 26  1  0  0  0  0 
 22 27  1  0  0  0  0 
  3 28  1  0  0  0  0 
M  END
> <ID>
CHEBI:95198

> <NAME>
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethyl-1-pyrazolyl)acetamide

> <STAR>
2

> <FORMULA>
C22H27N5O

> <MASS>
377.484

> <MONOISOTOPIC_MASS>
377.22156

> <CHARGE>
0

> <SMILES>
CC1=C(C=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CN4C(=CC(=N4)C)C)C

> <INCHI>
InChI=1S/C22H27N5O/c1-14-8-9-18(10-15(14)2)27-21-7-5-6-20(19(21)12-23-27)24-22(28)13-26-17(4)11-16(3)25-26/h8-12,20H,5-7,13H2,1-4H3,(H,24,28)

> <INCHIKEY>
UXMBDCCKVYUUQS-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-6488

$$$$