<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356196</id>
  <title nil="true"/>
  <common-name>2-[[2-[4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-hydroxy-7-sulfonaphthalen-1-yl]diazenyl]phenyl]-5-methyl-3-oxo-1h-pyrazol-4-yl]diazenyl]-5-sulfobenzoic acid</common-name>
  <description>2-[[2-[4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-hydroxy-7-sulfonaphthalen-1-yl]diazenyl]phenyl]-5-methyl-3-oxo-1h-pyrazol-4-yl]diazenyl]-5-sulfobenzoic acid is a compound with the formula C43H31N9O14S3. With an average molecular weight of 994.00 g/mol, 2-[[2-[4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-hydroxy-7-sulfonaphthalen-1-yl]diazenyl]phenyl]-5-methyl-3-oxo-1h-pyrazol-4-yl]diazenyl]-5-sulfobenzoic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>165361171</pubchem-id>
  <chemical-formula>C43H31N9O14S3</chemical-formula>
  <weight>994</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">2026-09-01T01:27:12Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:27:12Z</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 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>CC1=C(C(=O)N(N1)C2=CC=C(C=C2)N=NC3=CC(=C(C4=C3C=C(C=C4)S(=O)(=O)O)N=NC5=C(C=C6C=C(C=CC6=C5O)NC7=CC=CC=C7)S(=O)(=O)O)O)N=NC8=C(C=C(C=C8)S(=O)(=O)O)C(=O)O</moldb-smiles>
  <moldb-formula>C43H31N9O14S3</moldb-formula>
  <moldb-inchi>InChI=1S/C43H31N9O14S3/c1-22-38(48-46-34-16-13-29(68(61,62)63)20-33(34)43(56)57)42(55)52(51-22)27-10-7-25(8-11-27)45-47-35-21-36(53)39(31-15-12-28(19-32(31)35)67(58,59)60)49-50-40-37(69(64,65)66)18-23-17-26(9-14-30(23)41(40)54)44-24-5-3-2-4-6-24/h2-21,44,51,53-54H,1H3,(H,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)</moldb-inchi>
  <moldb-inchikey>MKXPCCLBALTCCQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">993.1152602</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.5</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>CHEM352089</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-[[2-[4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-hydroxy-7-sulfonaphthalen-1-yl]diazenyl]phenyl]-5-methyl-3-oxo-1h-pyrazol-4-yl]diazenyl]-5-sulfobenzoic 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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306446</sync-id>
  <structure-inchikey>MKXPCCLBALTCCQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000000000003000000000000000188200000004000000800000000000021004000020000000004800000000000000080000080100080000000000000000000008000002020000020000000000801001004000000008000000000010000000810000000100040000000001100000400000100000000000000010040000000800000200000000080000000000100000000000000000000000000000200022800040000080000000100000000000000088001410000098020040000000100002100000000000000400080000000042004000200000000220000000040000803000040000000008400400000000000000100000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������E���L���€���`������@(������@(������@(�������(������@(������@8�������@(������@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�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:54:01Z</structure-indexed-at>
</compound>
