Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L04LKT
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| Ligand Name |
(2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
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| Structure |
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Download2D MOL |
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| Formula |
C35H33F3N6O3S
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| Canonical SMILES |
C1CC2=C(N=CN2C1)C(C(=O)NC3=NC=CS3)N4CC5=C(C4=O)C=C(C=C5C(F)(F)F)C#CC6=CC=C(C=C6)CN7CCC(CC7)CO
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| InChI |
1S/C35H33F3N6O3S/c36-35(37,38)28-17-25(8-5-22-3-6-23(7-4-22)18-42-13-9-24(20-45)10-14-42)16-26-27(28)19-44(33(26)47)31(32(46)41-34-39-11-15-48-34)30-29-2-1-12-43(29)21-40-30/h3-4,6-7,11,15-17,21,24,31,45H,1-2,9-10,12-14,18-20H2,(H,39,41,46)/t31-/m1/s1
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| InChIKey |
PPUARJAODGRSLP-WJOKGBTCSA-N
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| PubChem Compound ID | ||||
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