Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L1DU8L
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| Ligand Name |
US9580437, Example 12
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| Synonyms |
SCHEMBL17865146; US9580437, Example 12; BDBM291697; N-((2,3-dihydrobenzofuran-4-yl)methyl)-8-(4-(methylsulfonyl)phenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
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| Structure |
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Download2D MOL |
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| Formula |
C21H19N5O3S
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| Canonical SMILES |
CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=C5CCOC5=CC=C4
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| InChI |
1S/C21H19N5O3S/c1-30(27,28)16-7-5-14(6-8-16)18-12-23-21(26-13-24-25-20(18)26)22-11-15-3-2-4-19-17(15)9-10-29-19/h2-8,12-13H,9-11H2,1H3,(H,22,23)
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| InChIKey |
GDDMEOORUYUIJL-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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