<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">145770</id>
  <title nil="true"/>
  <common-name>FDL176</common-name>
  <description>FDL176 is a compound with the chemical formula C24H19N5O2S. It has an average molecular weight of 441.51 g/mol.</description>
  <cas>1897372-00-7</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C24H19N5O2S</chemical-formula>
  <weight nil="true"/>
  <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">2026-05-14T21:05:12Z</created-at>
  <updated-at type="dateTime">2026-05-14T21:05:12Z</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>DB31516</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>O=S(=O)(C1=CC=CC=C1)C1=CN2N=C(NCC3=CC=C(C=C3)C3=CC=CC=N3)N=C2C=C1</moldb-smiles>
  <moldb-formula>C24H19N5O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C24H19N5O2S/c30-32(31,20-6-2-1-3-7-20)21-13-14-23-27-24(28-29(23)17-21)26-16-18-9-11-19(12-10-18)22-8-4-5-15-25-22/h1-15,17H,16H2,(H,26,28)</moldb-inchi>
  <moldb-inchikey>DZNYUTXBISIQEO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">441.51</moldb-average-mass>
  <moldb-mono-mass type="decimal">441.125946046</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM141663</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 nil="true"/>
  <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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer">8</paper-count>
  <sync-id>CED0037356</sync-id>
  <structure-inchikey>DZNYUTXBISIQEO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000020000000000000000000000200000000000010000000000000201000010020000002004000000000000008000800000000000000000000000000101000000000000020020000000000080001000000000000000000000000010000000000000000000800000000100000000000800000000001000004000000000c00000000000000090800000000100080000000000000400000000000000000000000000080000000080000000080000080000000000000000000000100200000000000000000000000000000000000000000220000000000080000000000011002040000000000000000000080010004002080000000000</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�������@h�������@h�������@(������@(������@(������@h�������@h��������������������h���h���h���h���h��	�	
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����	�����������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:52:40Z</structure-indexed-at>
</compound>
