141552 <common-name>Acefylline clofibrol</common-name> <description>Acefylline clofibrol belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C19H21ClN4O5 and an average molecular weight of 420.85 g/mol.</description> <cas>70788-27-1</cas> <pubchem-id>68898</pubchem-id> <chemical-formula>C19H21ClN4O5</chemical-formula> <weight>420.8</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-15T18:00:25Z</created-at> <updated-at type="dateTime">2026-08-29T15:45:46Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB21353</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CN1C2=C(N(CC(=O)OCC(C)(C)OC3=CC=C(Cl)C=C3)C=N2)C(=O)N(C)C1=O</moldb-smiles> <moldb-formula>C19H21ClN4O5</moldb-formula> <moldb-inchi>InChI=1S/C19H21ClN4O5/c1-19(2,29-13-7-5-12(20)6-8-13)10-28-14(25)9-24-11-21-16-15(24)17(26)23(4)18(27)22(16)3/h5-8,11H,9-10H2,1-4H3</moldb-inchi> <moldb-inchikey>ICVMNUSJJHSLLM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">420.85</moldb-average-mass> <moldb-mono-mass type="decimal">420.1200475</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM137445</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>[2-(4-chlorophenoxy)-2-methylpropyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">67</paper-count> <sync-id>CED0021600</sync-id> <structure-inchikey>ICVMNUSJJHSLLM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000008000100020000000100000001000000000800000000000000000000000242000000000000020008080000000000000000000010000800000000008004800000000000000000000200000100001000002000000000000100000000100800000000040000000000000000009000000000000000000000080000000400200000000000000000040000000000000108000000000002000000000001480000000000000010a2000000000000088090000000000000000000000000000000100000000000000000000000010008000000000000200000000000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> 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