Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LJXC42
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| Ligand Name |
(2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[2-methyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide
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| Synonyms |
(2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[2-methyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide; 6G8
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| Structure |
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Download2D MOL |
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| Formula |
C35H42FN5O4
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| Canonical SMILES |
CC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)CN3CCOCC3)C(=O)NCC4CC(CN4C(=O)C5CC5)NC(=O)C6CC(CN6)F
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| InChI |
1S/C35H42FN5O4/c1-23-16-25(5-2-24-3-6-26(7-4-24)21-40-12-14-45-15-13-40)8-11-31(23)33(42)38-20-30-18-29(22-41(30)35(44)27-9-10-27)39-34(43)32-17-28(36)19-37-32/h3-4,6-8,11,16,27-30,32,37H,9-10,12-15,17-22H2,1H3,(H,38,42)(H,39,43)/t28-,29+,30+,32-/m0/s1
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| InChIKey |
VANITAVOZBNWHX-TWXNZYBRSA-N
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| PubChem Compound ID | ||||
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