Ketcher 10251811582D 1   1.00000     0.00000     0

 23 26  0     0  0            999 V2000
   12.8613  -25.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5523  -26.8491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1400  -27.6581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6012  -27.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5522  -28.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6012  -28.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7351  -26.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8690  -27.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7352  -28.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8691  -28.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8612  -29.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8123  -29.7271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2735  -30.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8123  -30.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8614  -31.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6214  -31.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8394  -25.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1485  -24.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5086  -26.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1267  -24.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4867  -26.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7958  -25.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5349  -30.9079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  3  2  1  0     0  0
  4  2  1  0     0  0
  5  3  2  0     0  0
  6  5  1  0     0  0
  7  4  1  0     0  0
  6  4  2  0     0  0
  8  7  2  0     0  0
  9  6  1  0     0  0
 10  8  1  0     0  0
 10  9  2  0     0  0
  5 11  1  0     0  0
 12 11  1  0     0  0
 13 11  2  0     0  0
 14 12  1  0     0  0
 15 13  1  0     0  0
 15 14  2  0     0  0
 14 16  1  0     0  0
  1 17  1  0     0  0
 18 17  1  0     0  0
 19 17  2  0     0  0
 20 18  2  0     0  0
 21 19  1  0     0  0
 22 20  1  0     0  0
 22 21  2  0     0  0
 16 23  1  0     0  0
M  END
> <ID>
CHEBI:142430

> <NAME>
lificiguat

> <DEFINITION>
A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation.

> <STAR>
3

> <SYNONYM>
YC-1; 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole; 1-benzyl-3-(5-hydroxymethyl-2-furyl)indazole

> <IUPAC_NAME>
[5-(1-benzyl-1H-indazol-3-yl)-2-furyl]methanol

> <INN>
lificiguatum; lificiguat; lificiguat; lificiguat

> <FORMULA>
C19H16N2O2

> <MASS>
304.343

> <MONOISOTOPIC_MASS>
304.12118

> <CHARGE>
0

> <SMILES>
C(N1N=C(C2=C1C=CC=C2)C=3OC(=CC3)CO)C=4C=CC=CC4

> <INCHI>
InChI=1S/C19H16N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2

> <INCHIKEY>
OQQVFCKUDYMWGV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
170632-47-0

> <REAXYS_REGISTRY_NUMBER>
8006642

> <CHEMIDPLUS>
170632-47-0

> <PUBMED_CITATION>
10369473; 11687640; 20513359; 21665942; 24265542; 27498367; 27938560; 28978999; 28983668; 29156788; 29441848; 29512783; 30250592; 7527671; 9059849; 9443939

$$$$