Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5R2ID
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| Ligand Name |
Tert-Butyl 4-({(2-{(4-Cyanophenyl)[(1-Methyl-1h-Imidazol-5-Yl)methyl]amino}ethyl)[(2-Methylphenyl)sulfonyl]amino}methyl)piperidine-1-Carboxylate
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| Synonyms |
Tert-Butyl 4-({(2-{(4-Cyanophenyl)[(1-Methyl-1h-Imidazol-5-Yl)methyl]amino}ethyl)[(2-Methylphenyl)sulfonyl]amino}methyl)piperidine-1-Carboxylate; ethylenediamine scaffold, 5; BDBM31424; 3e37; Q27459906; t-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1h-imidazol-5-yl)methyl]amino}ethyl)[(2-methylphenyl)sulphonyl] amino}methyl)piperidine-1-carboxylate
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| Structure |
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Download2D MOL |
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| Formula |
C32H42N6O4S
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| Canonical SMILES |
CC1=CC=CC=C1S(=O)(=O)N(CCN(CC2=CN=CN2C)C3=CC=C(C=C3)C#N)CC4CCN(CC4)C(=O)OC(C)(C)C
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| InChI |
1S/C32H42N6O4S/c1-25-8-6-7-9-30(25)43(40,41)38(22-27-14-16-36(17-15-27)31(39)42-32(2,3)4)19-18-37(23-29-21-34-24-35(29)5)28-12-10-26(20-33)11-13-28/h6-13,21,24,27H,14-19,22-23H2,1-5H3
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| InChIKey |
CHEKEDNUVFBGCF-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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