Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LG54QI
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| Ligand Name |
N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
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| Synonyms |
CHEMBL1097356; N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide; SCHEMBL12854878; BDBM50317065; Q27467890; N''-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide; N1-((1S,2S)-1-((R)-4-benzylpiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide; Z75
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| Structure |
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Download2D MOL |
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| Formula |
C35H44F2N4O3
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| Canonical SMILES |
CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(C3CN(CCN3)CC4=CC=CC=C4)O)C
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| InChI |
1S/C35H44F2N4O3/c1-4-12-41(13-5-2)35(44)28-16-24(3)15-27(20-28)34(43)39-31(19-26-17-29(36)21-30(37)18-26)33(42)32-23-40(14-11-38-32)22-25-9-7-6-8-10-25/h6-10,15-18,20-21,31-33,38,42H,4-5,11-14,19,22-23H2,1-3H3,(H,39,43)/t31-,32+,33-/m0/s1
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| InChIKey |
ZHZSBUKNHGZRTJ-DSPMFFIESA-N
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| PubChem Compound ID | ||||
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