Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L6NI2L
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| Ligand Name |
N-[(5-ethyl-4-oxo-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)methyl]-7-methyl-2-oxo-1,3-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide
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| Structure |
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Download2D MOL |
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| Formula |
C21H25N6O3+
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| Canonical SMILES |
CCN1CC2=C(C=CC(=C2)CNC(=O)C3=CN=C4CC(=O)N[N+]4=C3C)NCCC1=O
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| InChI |
1S/C21H24N6O3/c1-3-26-12-15-8-14(4-5-17(15)22-7-6-20(26)29)10-24-21(30)16-11-23-18-9-19(28)25-27(18)13(16)2/h4-5,8,11,22H,3,6-7,9-10,12H2,1-2H3,(H-,24,25,28,30)/p+1
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| InChIKey |
LHEOUBYGNUOQPC-UHFFFAOYSA-O
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| PubChem Compound ID | ||||
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