Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LIB2S8
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| Ligand Name |
8-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-[(4-chlorophenyl)methyl]-7-ethylpurine-2,6-dione
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| Synonyms |
CHEMBL3774900; SCHEMBL19066325; BDBM50150752
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| Structure |
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Download2D MOL |
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| Formula |
C17H17ClN8O2S
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| Canonical SMILES |
CCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=C(C=C3)Cl)CSC4=NNC(=N4)N
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| InChI |
1S/C17H17ClN8O2S/c1-2-25-11(8-29-16-22-15(19)23-24-16)20-13-12(25)14(27)21-17(28)26(13)7-9-3-5-10(18)6-4-9/h3-6H,2,7-8H2,1H3,(H,21,27,28)(H3,19,22,23,24)
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| InChIKey |
HZXIXZPCCYPTDC-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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