{"id":223,"date":"2026-06-05T04:59:32","date_gmt":"2026-06-04T20:59:32","guid":{"rendered":"https:\/\/npi-disruptors.com\/index.php\/compound\/a1ejc\/"},"modified":"2026-06-27T03:39:45","modified_gmt":"2026-06-26T19:39:45","slug":"a1ejc","status":"publish","type":"compound","link":"https:\/\/npi-disruptors.com\/index.php\/compound\/a1ejc\/","title":{"rendered":"A1EJC"},"content":{"rendered":"","protected":false},"featured_media":0,"template":"","class_list":["post-223","compound","type-compound","status-publish","hentry"],"acf":{"compound_name":"A1EJC","smiles":"c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)N","mw":"507.18","pdb_ids":"9ld3;9ldi","classification":"NATURAL_PRODUCT","iupac_name":"[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-diphosphonooxy-oxolan-2-yl]methyl dihydrogen phosphate","class":"","smiles_stereo":"c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)N","inchi":"InChI=1S\/C10H16N5O13P3\/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(28-31(22,23)24)6(27-30(19,20)21)4(26-10)1-25-29(16,17)18\/h2-4,6-7,10H,1H2,(H2,11,12,13)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)\/t4-,6-,7-,10-\/m1\/s1","inchikey":"JRIZSBGDMDSKRF-KQYNXXCUSA-N","chembl":"nan","pubchem":"15820845","cas":"nan","chebi":"nan","hbd":"7","hba":"12","rot_bonds":"8","tpsa":"279.13","clogp":"-1.63","mr":"95.48","rings":"3","aromatic_rings":"2","atom_count_chiral":"4","fraction_csp3":"0.5","formal_charge":"0","qed":"0.197","npscore":"0.122142543","sascore":"7.223627361","formula":"C10 H16 N5 O13 P3","drugbank_id":"nan","drugbank_drug_groups":"nan","drugbank_brand_names":"nan","atc_codes":"nan"},"_links":{"self":[{"href":"https:\/\/npi-disruptors.com\/index.php\/wp-json\/wp\/v2\/compound\/223","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/npi-disruptors.com\/index.php\/wp-json\/wp\/v2\/compound"}],"about":[{"href":"https:\/\/npi-disruptors.com\/index.php\/wp-json\/wp\/v2\/types\/compound"}],"version-history":[{"count":1,"href":"https:\/\/npi-disruptors.com\/index.php\/wp-json\/wp\/v2\/compound\/223\/revisions"}],"predecessor-version":[{"id":439,"href":"https:\/\/npi-disruptors.com\/index.php\/wp-json\/wp\/v2\/compound\/223\/revisions\/439"}],"wp:attachment":[{"href":"https:\/\/npi-disruptors.com\/index.php\/wp-json\/wp\/v2\/media?parent=223"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}