Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L85RFN
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| Ligand Name |
N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
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| Synonyms |
N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide; CHEMBL539436; SCHEMBL5929923; BDBM29782; 7,6,5 tricyclic sulfonamide, 22; Q27468095
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| Structure |
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Download2D MOL |
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| Formula |
C32H38N4O5S
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| Canonical SMILES |
CCC1=CN2CCS(=O)(=O)N(C3=CC(=CC1=C32)C(=O)NC(CC4=CC=CC=C4)C(CNCC5=CC(=CC=C5)OC)O)C
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| InChI |
1S/C32H38N4O5S/c1-4-24-21-36-13-14-42(39,40)35(2)29-18-25(17-27(24)31(29)36)32(38)34-28(16-22-9-6-5-7-10-22)30(37)20-33-19-23-11-8-12-26(15-23)41-3/h5-12,15,17-18,21,28,30,33,37H,4,13-14,16,19-20H2,1-3H3,(H,34,38)/t28-,30+/m0/s1
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| InChIKey |
MNGUVHPNHVMEDL-MFMCTBQISA-N
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| PubChem Compound ID | ||||
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