Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LDG38O
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| Ligand Name |
1-[4-(7-Thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
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| Synonyms |
CHEMBL3288147; 1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone; 4o9s; SCHEMBL16690832; BDBM50019066; 2RY
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| Structure |
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Download2D MOL |
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| Formula |
C22H21F3N4OS
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| Canonical SMILES |
C1CC2=C(C1)SC3=NC=NC(=C23)N4CCN(CC4)C(=O)CC5=CC=CC=C5C(F)(F)F
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| InChI |
1S/C22H21F3N4OS/c23-22(24,25)16-6-2-1-4-14(16)12-18(30)28-8-10-29(11-9-28)20-19-15-5-3-7-17(15)31-21(19)27-13-26-20/h1-2,4,6,13H,3,5,7-12H2
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| InChIKey |
XMIMIFRXLOGETC-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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