Ketcher 04172412092D 1   1.00000     0.00000     0

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  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
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  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13  8  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
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 14 21  2  0     0  0
 21  6  1  0     0  0
  5 22  1  0     0  0
 22 23  2  0     0  0
 23  2  1  0     0  0
 23 24  1  0     0  0
M  END
> <ID>
CHEBI:230492

> <NAME>
CMS-121

> <DEFINITION>
CMS-121 is a quinolone derivative and an orally active acetyl-CoA carboxylase 1 (ACC1) inhibitor. CMS-121 protects HT22 cells against ischemia and oxidative damage. CMS-121 has strong neuroprotective, anti-inflammatory, antioxidative and renoprotective activities.

> <STAR>
2

> <FORMULA>
C20H19NO3

> <MASS>
321.376

> <MONOISOTOPIC_MASS>
321.13649

> <CHARGE>
0

> <SMILES>
OC1=CC=C(C2=NC3=CC=CC=C3C(OC4CCCC4)=C2)C=C1O

> <INCHI>
InChI=1S/C20H19NO3/c22-18-10-9-13(11-19(18)23)17-12-20(24-14-5-1-2-6-14)15-7-3-4-8-16(15)21-17/h3-4,7-12,14,22-23H,1-2,5-6H2

> <INCHIKEY>
OMHNVUCFPJJLKD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1353224-53-9

$$$$