<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">342557</id>
  <title nil="true"/>
  <common-name>2-[4-[2-[4-(2,3-dihydroxypropoxy)phenyl]-2-oxoethyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid</common-name>
  <description>2-[4-[2-[4-(2,3-dihydroxypropoxy)phenyl]-2-oxoethyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid is a compound with the formula C25H29N5O7. With an average molecular weight of 511.50 g/mol, 2-[4-[2-[4-(2,3-dihydroxypropoxy)phenyl]-2-oxoethyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid is a heavy molecule.</description>
  <cas>68689-69-0</cas>
  <pubchem-id>3052351</pubchem-id>
  <chemical-formula>C25H29N5O7</chemical-formula>
  <weight>511.5</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">2026-08-31T03:32:04Z</created-at>
  <updated-at type="dateTime">2026-08-31T03:32:04Z</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 nil="true"/>
  <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>CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)CC(=O)C4=CC=C(C=C4)OCC(CO)O)C(=O)O</moldb-smiles>
  <moldb-formula>C25H29N5O7</moldb-formula>
  <moldb-inchi>InChI=1S/C25H29N5O7/c1-2-29-12-20(24(35)36)22(34)19-11-26-25(27-23(19)29)30-9-7-28(8-10-30)13-21(33)16-3-5-18(6-4-16)37-15-17(32)14-31/h3-6,11-12,17,31-32H,2,7-10,13-15H2,1H3,(H,35,36)</moldb-inchi>
  <moldb-inchikey>FNICRDZBUMUHHI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">511.2066983</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-1.6</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>CHEM338450</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-[2-[4-(2,3-dihydroxypropoxy)phenyl]-2-oxoethyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid</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 oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0292946</sync-id>
  <structure-inchikey>FNICRDZBUMUHHI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000200000040020a000020002000000000000000000000000021000000008000400020000202000000000000020040001000000000004808000200000008006000000000000000000000000000000202000000001000002000000000000000000000100000000000000000000000000000201000000000000000000000000004900400000000000000000000000000000000000000000000000008000000000000080000000000400000840000000000000040d000000800000080000010000000000008000000020000002000008000004c010000040000200000008010000000000000001000040000000000400000000000000400100000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������%���(���€���`�������`������@(������@h�������@(������@(�������(������@(������@h�������@(������@(������@(������@(�������(�������`�������`������� ������`�������`�������`�������(�������(������@(������@h�������@h�������@(������@h�������@h��������(�������`�������`�������`�������`�������`�������(�������(�������h���������������h���h���h���(���h���h��	h�	
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��������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:42:09Z</structure-indexed-at>
</compound>
