Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LD86QI
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| Ligand Name |
8-(2-Chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ylnyl-9H-purin-6-ylamine
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| Synonyms |
PU24FCl; 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE; CHEMBL112953; CHEBI:47628; PU1; 8-(2-Chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-(pent-4-ynyl)-9H-purin-6-amine; 8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluoro-9-(pent-4-yn-1-yl)-9H-purin-6-amine; 1uyf; Purine-Based Inhibitor 8; SCHEMBL2604977; BDBM15381; DB02550; 8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluoro-9-pent-4-ynylpurin-6-amine; Q27093527; 2-Fluoro-8-(2-chloro-3,4,5-trimethoxybenzyl)-9-(4-pentynyl)-9H-purine-6-amine; 8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-(pent-4-yn-1-yl)-9H-purin-6-amine; 8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine; 8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-ynyl-9H-purin-6-amine
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| Structure |
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Download2D MOL |
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| Formula |
C20H21ClFN5O3
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| Canonical SMILES |
COC1=C(C(=C(C(=C1)CC2=NC3=C(N=C(N=C3N2CCCC#C)F)N)Cl)OC)OC
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| InChI |
1S/C20H21ClFN5O3/c1-5-6-7-8-27-13(24-15-18(23)25-20(22)26-19(15)27)10-11-9-12(28-2)16(29-3)17(30-4)14(11)21/h1,9H,6-8,10H2,2-4H3,(H2,23,25,26)
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| InChIKey |
KCIOVTSUEXGUFJ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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