<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356206</id>
  <title nil="true"/>
  <common-name>2-[[6-[[4-fluoro-6-[1-[[4-fluoro-6-[[5-hydroxy-6-[(4-methoxy-2,5-disulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ylamino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-5-methoxybenzene-1,4-disulfonic acid</common-name>
  <description>2-[[6-[[4-fluoro-6-[1-[[4-fluoro-6-[[5-hydroxy-6-[(4-methoxy-2,5-disulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ylamino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-5-methoxybenzene-1,4-disulfonic acid has the chemical formula C43H36F2N14O22S6. With an average molecular weight of 1,331 g/mol, 2-[[6-[[4-fluoro-6-[1-[[4-fluoro-6-[[5-hydroxy-6-[(4-methoxy-2,5-disulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ylamino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-5-methoxybenzene-1,4-disulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>136274483</pubchem-id>
  <chemical-formula>C43H36F2N14O22S6</chemical-formula>
  <weight>1331.2</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">2026-09-01T01:28:03Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:28:03Z</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>CC(CNC1=NC(=NC(=N1)F)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC(=C(C=C4S(=O)(=O)O)OC)S(=O)(=O)O)S(=O)(=O)O)NC5=NC(=NC(=N5)NC6=CC7=CC(=C(C(=C7C=C6)O)N=NC8=CC(=C(C=C8S(=O)(=O)O)OC)S(=O)(=O)O)S(=O)(=O)O)F</moldb-smiles>
  <moldb-formula>C43H36F2N14O22S6</moldb-formula>
  <moldb-inchi>InChI=1S/C43H36F2N14O22S6/c1-17(47-41-51-39(45)53-43(55-41)49-21-5-7-23-19(9-21)11-33(87(77,78)79)35(37(23)61)59-57-25-13-31(85(71,72)73)27(81-3)15-29(25)83(65,66)67)16-46-40-50-38(44)52-42(54-40)48-20-4-6-22-18(8-20)10-32(86(74,75)76)34(36(22)60)58-56-24-12-30(84(68,69)70)26(80-2)14-28(24)82(62,63)64/h4-15,17,60-61H,16H2,1-3H3,(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H2,46,48,50,52,54)(H2,47,49,51,53,55)</moldb-inchi>
  <moldb-inchikey>XUFHFKJKDVSLBO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1330.042092</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.2</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>CHEM352099</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-[[6-[[4-fluoro-6-[1-[[4-fluoro-6-[[5-hydroxy-6-[(4-methoxy-2,5-disulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ylamino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-5-methoxybenzene-1,4-disulfonic 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>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass>Naphthalene sulfonic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306456</sync-id>
  <structure-inchikey>XUFHFKJKDVSLBO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400020000000000001008000010020000000000000000001802000000000004000000010000800000040000200000020008000000000000000000000001000000000008000000000000480020020200000200000100021100200040000000000000000000100000008500000001000000000000010000004000000000000000000000000480000000000000000000000800000008000000000000000000000000000000000000088000400000800000001800000000000000800014000000000a0040000000220002000000004040000400000000000000004000200000001000000000000000011000040000000020000800000004020000000000020000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������W���^���€���`�������`�������`�������h�������@(������@(������@(������@(������@(������@(�����	� ������h�������@(������@h�������@(������@h�������@(������@(������@(������@(������@h�������@h��������h��������(�������(������@(������@h�������@(������@(������@h�������@(������� ������(�������(�������`�������(�������`������� ������(�������(�������`������� ������(�������(�������`�������h�������@(������@(������@(������@(������@(������@(�������h�������@(������@h�������@(������@h�������@(������@(������@(������@(������@h�������@h��������h��������(�������(������@(������@h�������@(������@(������@h�������@(������� ������(�������(�������`�������(�������`������� ������(�������(�������`������� ������(�������(�������`�����	� ���������������� ��h���h���h���h��	h��
��� �� �h��h���h���h���h���h���h���h���h��� �� ��(��� ��h���h���h���h���h����� ���!���"��# #$��%�%&amp;��%'��%(��)�)*��)+��),��-�-. ./h�/0h�01h�12h�23h�24 45 56h�67h�78h�89h�9:h�:;h�;&lt;h�&lt;=h�=&gt;h�;? :@ @A(�AB BCh�CDh�DEh�EFh�FGh�GH�HI��HJ��HK�EL LM�DN�NO��NP��NQ�9R�RS��RT��RU�0V�	�h���h���h���h�3.h�&gt;5h�&lt;7h�GBh�B���������	����������������������/0123.�67&lt;=&gt;5�89:;&lt;7�CDEFGB����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:54:02Z</structure-indexed-at>
</compound>
