cridanimod
  CDK     0223171741
null
 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.3241   -0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0386   -0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0386   -1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241   -1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3904   -1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3904   -0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3241   -2.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3904   -2.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1048   -2.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1048   -1.6795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3904   -3.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1048   -4.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8193   -3.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8193   -2.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0386   -2.9170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8193   -1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5338   -1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2482   -1.2670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5338   -2.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  1  6  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  5  6  2  0  0  0  0 
  5 10  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 14  2  0  0  0  0 
  9  8  1  0  0  0  0 
  8 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
  7 15  2  0  0  0  0 
 10 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 17 19  2  0  0  0  0 
M  END
> <ID>
CHEBI:136036

> <NAME>
cridanimod

> <STAR>
2

> <SYNONYM>
sodium cridanimod; oxodihydroacridinylacetate sodium; neovir

> <FORMULA>
C15H11NO3

> <MASS>
253.253

> <MONOISOTOPIC_MASS>
253.07389

> <CHARGE>
0

> <SMILES>
C1=CC=C2C(=C1)N(C3=CC=CC=C3C2=O)CC(O)=O

> <INCHI>
InChI=1S/C15H11NO3/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18)

> <INCHIKEY>
UOMKBIIXHQIERR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
38609-97-1

$$$$