Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L3CNE1
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| Ligand Name |
N'-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-[(2r,4s)-4-Ethoxypiperidin-2-Yl]-2-Hydroxyethyl}-5-Methyl-N,N-Dipropylisophthalamide
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| Synonyms |
CHEMBL257278; N'-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-[(2r,4s)-4-Ethoxypiperidin-2-Yl]-2-Hydroxyethyl}-5-Methyl-N,N-Dipropylisophthalamide; SCHEMBL14457361; BDBM50227337; Q27465300; N''-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-YL]-2-HYDROXYETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE; N1-((1R,2S)-3-(3,5-difluorophenyl)-1-((2R,4S)-4-ethoxypiperidin-2-yl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide; SC7
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| Structure |
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Download2D MOL |
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| Formula |
C31H43F2N3O4
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| Canonical SMILES |
CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(C3CC(CCN3)OCC)O)C
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| InChI |
1S/C31H43F2N3O4/c1-5-10-36(11-6-2)31(39)23-13-20(4)12-22(17-23)30(38)35-28(16-21-14-24(32)18-25(33)15-21)29(37)27-19-26(40-7-3)8-9-34-27/h12-15,17-18,26-29,34,37H,5-11,16,19H2,1-4H3,(H,35,38)/t26-,27+,28-,29+/m0/s1
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| InChIKey |
JWYOKBPWLVCFKU-ICYKMPLBSA-N
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| PubChem Compound ID | ||||
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