null
  CDK     0225161911
null
 27 31  0  0  0  0  0  0  0  0999 V2000
    0.1163   -2.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517   -1.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517   -0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3012   -0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657   -0.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657   -1.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3012   -1.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0368   -1.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5873   -2.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0368   -0.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8344   -1.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0505   -2.2490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4159   -0.8676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2134   -1.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7949   -0.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5788    0.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1603    0.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9579    0.6772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1740   -0.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5925   -0.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3012    0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5867    1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5867    1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3011    2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0156    1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0156    1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3011    3.1792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
 10  4  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  9  2  1  0  0  0  0 
  6  1  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  5  6  1  0  0  0  0 
  8 10  1  0  0  0  0 
  2  3  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 11 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  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 15  1  0  0  0  0 
  4 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 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 21  1  0  0  0  0 
 24 27  1  0  0  0  0 
M  END
> <ID>
CHEBI:124965

> <NAME>
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1-adamantanecarboxamide

> <STAR>
2

> <FORMULA>
C23H25ClN2O

> <MASS>
380.911

> <MONOISOTOPIC_MASS>
380.16554

> <CHARGE>
0

> <SMILES>
C1C2CC3(CC1CC(C3)(C2)C4=CC=C(C=C4)Cl)C(=O)NCC5=CC=NC=C5

> <INCHI>
InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)

> <INCHIKEY>
CAOTVXGYTWCKQE-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-36424

$$$$