Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LC36YR
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| Ligand Name |
2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid
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| Synonyms |
CHEMBL4562561; 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid; OEJ; BDBM50528943
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| Structure |
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Download2D MOL |
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| Formula |
C22H17N5O6
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| Canonical SMILES |
C1=CC(=CC=C1CC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC4=C(C=CC(=C4)C(=O)O)C(=O)O
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| InChI |
1S/C22H17N5O6/c23-22-26-17-16(19(29)27-22)13(9-24-17)7-10-1-3-11(4-2-10)18(28)25-15-8-12(20(30)31)5-6-14(15)21(32)33/h1-6,8-9H,7H2,(H,25,28)(H,30,31)(H,32,33)(H4,23,24,26,27,29)
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| InChIKey |
UKZJDHHDTGYQBX-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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