Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
LF9JR5
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Ligand Name |
N~3~-{(1S,2R)-1-(3,5-Difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~,N~1~-dipropylbenzene-1,3,5-tricarboxamide
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Synonyms |
CHEMBL396765; N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE; SCHEMBL5344511; BDBM50210709; Q27463471; MR0; N1-((2S,3R)-4-(3-methoxybenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)-N3,N3-dipropylbenzene-1,3,5-tricarboxamide
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Structure |
Download2D MOL
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Formula |
C33H40F2N4O5
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Canonical SMILES |
CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(CNCC3=CC(=CC=C3)OC)O)C(=O)N
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InChI |
1S/C33H40F2N4O5/c1-4-9-39(10-5-2)33(43)25-16-23(31(36)41)15-24(17-25)32(42)38-29(14-22-11-26(34)18-27(35)12-22)30(40)20-37-19-21-7-6-8-28(13-21)44-3/h6-8,11-13,15-18,29-30,37,40H,4-5,9-10,14,19-20H2,1-3H3,(H2,36,41)(H,38,42)/t29-,30+/m0/s1
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InChIKey |
XIQAKRFMIYGAIR-XZWHSSHBSA-N
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PubChem Compound ID |
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