Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LI3KP4
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| Ligand Name |
4-({(2R,5S)-2,5-Dimethyl-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-YL}carbonyl)benzonitrile
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| Synonyms |
4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE; CHEMBL316388; TF1; 2bu5; SCHEMBL23752605; BDBM50236533; DB08608; Q27097807; (2R,5S)-4-[(R)-2-Methyl-2-hydroxy-3,3,3-trifluoropropionyl]-2,5-dimethyl-1-(4-cyanobenzoyl)piperazine
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| Structure |
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Download2D MOL |
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| Formula |
C18H20F3N3O3
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| Canonical SMILES |
CC1CN(C(CN1C(=O)C(C)(C(F)(F)F)O)C)C(=O)C2=CC=C(C=C2)C#N
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| InChI |
1S/C18H20F3N3O3/c1-11-10-24(16(26)17(3,27)18(19,20)21)12(2)9-23(11)15(25)14-6-4-13(8-22)5-7-14/h4-7,11-12,27H,9-10H2,1-3H3/t11-,12+,17-/m1/s1
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| InChIKey |
IWFSHKKFDSWNLZ-BWACUDIHSA-N
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| PubChem Compound ID | ||||
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