Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LB3PL4
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| Ligand Name |
5-hydroxy-3-{1-[(2S)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1H-pyrrolo[3,2-c]pyridin-5-ium
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| Synonyms |
5-hydroxy-3-{1-[(2S)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1H-pyrrolo[3,2-c]pyridin-5-ium
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| Structure |
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Download2D MOL |
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| Formula |
C29H34F3N6O4S+
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| Canonical SMILES |
CS(=O)(=O)N1CCC2=C(C1)C(=NN2CC(CN3CCC(CC3)C4=CNC5=C4C=[N+](C=C5)O)O)C6=CC=C(C=C6)C(F)(F)F
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| InChI |
1S/C29H33F3N6O4S/c1-43(41,42)37-13-9-27-25(18-37)28(20-2-4-21(5-3-20)29(30,31)32)34-38(27)16-22(39)15-35-10-6-19(7-11-35)23-14-33-26-8-12-36(40)17-24(23)26/h2-5,8,12,14,17,19,22,39-40H,6-7,9-11,13,15-16,18H2,1H3/p+1/t22-/m0/s1
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| InChIKey |
OHGFFZPHDXPGML-QFIPXVFZSA-O
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| PubChem Compound ID | ||||
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