Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L94HPC
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| Ligand Name |
N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
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| Synonyms |
CHEMBL1097342; N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide; SCHEMBL12854842; BDBM50317048; Q27467891; N-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(m-tolylsulfonyl)piperazin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-methylbenzamide; Z76
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| Structure |
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Download2D MOL |
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| Formula |
C35H42F2N4O6S
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| Canonical SMILES |
CC1=CC(=CC=C1)S(=O)(=O)N2CCNC(C2)C(C(CC3=CC(=CC(=C3)F)F)NC(=O)C4=CC(=CC(=C4)C)C(=O)N5CCCC5COC)O
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| InChI |
1S/C35H42F2N4O6S/c1-22-6-4-8-30(14-22)48(45,46)40-11-9-38-32(20-40)33(42)31(17-24-15-27(36)19-28(37)16-24)39-34(43)25-12-23(2)13-26(18-25)35(44)41-10-5-7-29(41)21-47-3/h4,6,8,12-16,18-19,29,31-33,38,42H,5,7,9-11,17,20-21H2,1-3H3,(H,39,43)/t29-,31+,32-,33+/m1/s1
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| InChIKey |
CQQMWBPWYUPVOC-PPESYSCFSA-N
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| PubChem Compound ID | ||||
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