Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LE3VT2
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| Ligand Name |
C.I. Pigment Yellow 115
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| Synonyms |
68814-04-0; 2-Fluoro-6-{[2-({2-Methoxy-4-[(Methylsulfonyl)methyl]phenyl}amino)-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl]amino}benzamide; 2-fluoro-6-[[2-[2-methoxy-4-(methylsulfonylmethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide; 3elj; SCHEMBL21068043; DTXSID60920497; DB07845; Q27097055
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| Structure |
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Download2D MOL |
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| Formula |
C22H21FN6O4S
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| Canonical SMILES |
COC1=C(C=CC(=C1)CS(=O)(=O)C)NC2=NC3=C(C=CN3)C(=N2)NC4=C(C(=CC=C4)F)C(=O)N
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| InChI |
1S/C22H21FN6O4S/c1-33-17-10-12(11-34(2,31)32)6-7-15(17)27-22-28-20-13(8-9-25-20)21(29-22)26-16-5-3-4-14(23)18(16)19(24)30/h3-10H,11H2,1-2H3,(H2,24,30)(H3,25,26,27,28,29)
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| InChIKey |
VGYXXQRDIVRILX-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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