Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LJX7H5
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| Ligand Name |
(2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((3-fluoro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide
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| Synonyms |
(2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((3-fluoro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide; 99I
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| Structure |
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Download2D MOL |
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| Formula |
C34H39F2N5O4
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| Canonical SMILES |
C1CC1C(=O)N2CC(CC2CNC(=O)C3=CC(=C(C=C3)C#CC4=CC=C(C=C4)CN5CCOCC5)F)NC(=O)C6CC(CN6)F
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| InChI |
1S/C34H39F2N5O4/c35-27-16-31(37-18-27)33(43)39-28-17-29(41(21-28)34(44)25-8-9-25)19-38-32(42)26-10-7-24(30(36)15-26)6-5-22-1-3-23(4-2-22)20-40-11-13-45-14-12-40/h1-4,7,10,15,25,27-29,31,37H,8-9,11-14,16-21H2,(H,38,42)(H,39,43)/t27-,28+,29+,31-/m0/s1
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| InChIKey |
DQSZFVONXSACDZ-MLSIGSLTSA-N
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| PubChem Compound ID | ||||
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