Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L2E1LP
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| Ligand Name |
N,N-Dibutyl-4-Chloranyl-1-[2-(3,4-Dihydro-1h-Isoquinolin-2-Ylcarbonyl)-4-[(7-Iodanylnaphthalen-2-Yl)sulfonylcarbamoyl]phenyl]-5-Methyl-Pyrazole-3-Carboxamide
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| Synonyms |
CHEMBL2031018; N,N-Dibutyl-4-Chloranyl-1-[2-(3,4-Dihydro-1h-Isoquinolin-2-Ylcarbonyl)-4-[(7-Iodanylnaphthalen-2-Yl)sulfonylcarbamoyl]phenyl]-5-Methyl-Pyrazole-3-Carboxamide; 4aq3; SCHEMBL14061562; BDBM50384349; Q27453639
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| Structure |
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Download2D MOL
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| Formula |
C40H41ClIN5O5S
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| Canonical SMILES |
CCCCN(CCCC)C(=O)C1=NN(C(=C1Cl)C)C2=C(C=C(C=C2)C(=O)NS(=O)(=O)C3=CC4=C(C=C3)C=CC(=C4)I)C(=O)N5CCC6=CC=CC=C6C5
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| InChI |
1S/C40H41ClIN5O5S/c1-4-6-19-45(20-7-5-2)40(50)37-36(41)26(3)47(43-37)35-17-14-29(24-34(35)39(49)46-21-18-27-10-8-9-11-30(27)25-46)38(48)44-53(51,52)33-16-13-28-12-15-32(42)22-31(28)23-33/h8-17,22-24H,4-7,18-21,25H2,1-3H3,(H,44,48)
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| InChIKey |
DKJBPPVETUSFTM-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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