Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L3TJM9
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| Ligand Name |
3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride
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| Synonyms |
3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride
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| Structure |
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Download2D MOL |
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| Formula |
C25H24FIN6O4S2
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| Canonical SMILES |
C1CC(CN(C1)CC2=CC(=CC=C2)S(=O)(=O)F)CN3C4=NC=NC(=C4N=C3SC5=C(C=C6C(=C5)OCO6)I)N
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| InChI |
1S/C25H24FIN6O4S2/c26-39(34,35)17-5-1-3-15(7-17)10-32-6-2-4-16(11-32)12-33-24-22(23(28)29-13-30-24)31-25(33)38-21-9-20-19(8-18(21)27)36-14-37-20/h1,3,5,7-9,13,16H,2,4,6,10-12,14H2,(H2,28,29,30)/t16-/m0/s1
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| InChIKey |
GWFJRSCGJINASO-INIZCTEOSA-N
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| PubChem Compound ID | ||||
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