Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
LL6H1C
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Ligand Name |
4-[(2-Azanyl-6-Oxidanylidene-1,9-Dihydropurin-8-Yl)sulfanylmethyl]-3-Fluoranyl-Benzenecarbonitrile
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Synonyms |
CHEMBL3819281; 4-[(2-Azanyl-6-Oxidanylidene-1,9-Dihydropurin-8-Yl)sulfanylmethyl]-3-Fluoranyl-Benzenecarbonitrile; 5RY; BDBM50181523; Q27455983
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Structure |
Download2D MOL |
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Formula |
C13H9FN6OS
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Canonical SMILES |
C1=CC(=C(C=C1C#N)F)CSC2=NC3=C(N2)C(=O)NC(=N3)N
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InChI |
1S/C13H9FN6OS/c14-8-3-6(4-15)1-2-7(8)5-22-13-17-9-10(19-13)18-12(16)20-11(9)21/h1-3H,5H2,(H4,16,17,18,19,20,21)
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InChIKey |
GEUVDHJEINQZML-UHFFFAOYSA-N
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PubChem Compound ID |
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