Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L18DVJ
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| Ligand Name |
methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate
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| Synonyms |
methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate; EEJ
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| Structure |
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Download2D MOL |
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| Formula |
C31H31Cl2N9O4
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| Canonical SMILES |
CC(=O)N1CCCC(C1)CC(C2=NN=C(C(=C2)C3=CC=C(C=C3)NC(=O)OC)Cl)NC(=O)C=CC4=C(C=CC(=C4)Cl)N5C=NN=N5
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| InChI |
1S/C31H31Cl2N9O4/c1-19(43)41-13-3-4-20(17-41)14-26(36-29(44)12-7-22-15-23(32)8-11-28(22)42-18-34-39-40-42)27-16-25(30(33)38-37-27)21-5-9-24(10-6-21)35-31(45)46-2/h5-12,15-16,18,20,26H,3-4,13-14,17H2,1-2H3,(H,35,45)(H,36,44)/b12-7+/t20-,26+/m1/s1
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| InChIKey |
QCCGVMDYTWPPFU-BONIYOLGSA-N
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| PubChem Compound ID | ||||
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