Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LF3X1D
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| Ligand Name |
N-(4-{[2-(2-Amino-4-Oxo-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidin-6-Yl)ethyl]amino}benzene-1-Carbonyl)-L-Glutamic Acid
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| Synonyms |
CHEMBL4437824; N-(4-{[2-(2-Amino-4-Oxo-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidin-6-Yl)ethyl]amino}benzene-1-Carbonyl)-L-Glutamic Acid; 83A; antifolate AGF183; BDBM50534427; Q27456819
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| Structure |
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Download2D MOL |
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| Formula |
C20H22N6O6
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| Canonical SMILES |
C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCCC2=CC3=C(N2)N=C(NC3=O)N
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| InChI |
1S/C20H22N6O6/c21-20-25-16-13(18(30)26-20)9-12(23-16)7-8-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,9,14,22H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)/t14-/m0/s1
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| InChIKey |
UFNWIIALSMNORN-AWEZNQCLSA-N
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| PubChem Compound ID | ||||
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