Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L3F7GZ
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| Ligand Name |
(2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid
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| Synonyms |
(2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid; EGJ
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| Structure |
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Download2D MOL |
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| Formula |
C27H26ClFN4O2S
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| Canonical SMILES |
CC1CC(CCN1CC2=C(C(=CC=C2)Cl)F)(CC3=NC(=CC4=CC=CC=C43)NC5=NC=CS5)C(=O)O
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| InChI |
1S/C27H26ClFN4O2S/c1-17-14-27(25(34)35,9-11-33(17)16-19-6-4-8-21(28)24(19)29)15-22-20-7-3-2-5-18(20)13-23(31-22)32-26-30-10-12-36-26/h2-8,10,12-13,17H,9,11,14-16H2,1H3,(H,34,35)(H,30,31,32)/t17-,27+/m0/s1
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| InChIKey |
GKVNGMCPNCGMBE-CBZJRKILSA-N
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| PubChem Compound ID | ||||
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