Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L2ZM9Q
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| Ligand Name |
2-Methyl-1-(4-{2-[1-(2,2,2-Trifluoroethyl)-1h-1,2,4-Triazol-5-Yl]-4,5-Dihydro[1]benzoxepino[5,4-D][1,3]thiazol-8-Yl}-1h-Pyrazol-1-Yl)propan-2-Ol
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| Synonyms |
CHEMBL2381379; 2-Methyl-1-(4-{2-[1-(2,2,2-Trifluoroethyl)-1h-1,2,4-Triazol-5-Yl]-4,5-Dihydro[1]benzoxepino[5,4-D][1,3]thiazol-8-Yl}-1h-Pyrazol-1-Yl)propan-2-Ol; 4j6i; SCHEMBL1517576; BDBM50433527; Q27452160; 1JV; 2-Methyl-1-(4-{2-[2-(2,2,2-trifluoro-ethyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl}-pyrazol-1-yl)-propan-2-ol
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| Structure |
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Download2D MOL |
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| Formula |
C22H21F3N6O2S
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| Canonical SMILES |
CC(C)(CN1C=C(C=N1)C2=CC3=C(C=C2)C4=C(CCO3)SC(=N4)C5=NC=NN5CC(F)(F)F)O
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| InChI |
1S/C22H21F3N6O2S/c1-21(2,32)10-30-9-14(8-27-30)13-3-4-15-16(7-13)33-6-5-17-18(15)29-20(34-17)19-26-12-28-31(19)11-22(23,24)25/h3-4,7-9,12,32H,5-6,10-11H2,1-2H3
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| InChIKey |
VRJUJTMBOARYOG-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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