<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347974</id>
  <title nil="true"/>
  <common-name>2-amino-4-[(6-amino-1-methylquinolin-4-ylidene)amino]-n-[4-(2,4-diamino-1-methylpyrimidin-1-ium-5-yl)phenyl]benzamide</common-name>
  <description>2-amino-4-[(6-amino-1-methylquinolin-4-ylidene)amino]-n-[4-(2,4-diamino-1-methylpyrimidin-1-ium-5-yl)phenyl]benzamide is a chemical compound with the formula C28H28N9O+. With an average molecular weight of 506.60 g/mol, 2-amino-4-[(6-amino-1-methylquinolin-4-ylidene)amino]-n-[4-(2,4-diamino-1-methylpyrimidin-1-ium-5-yl)phenyl]benzamide is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>3041077</pubchem-id>
  <chemical-formula>C28H28N9O+</chemical-formula>
  <weight>506.6</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">2026-08-31T11:50:16Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:50:16Z</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>CN1C=CC(=NC2=CC(=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=C[N+](=C(N=C4N)N)C)N)C5=C1C=CC(=C5)N</moldb-smiles>
  <moldb-formula>C28H28N9O+</moldb-formula>
  <moldb-inchi>InChI=1S/C28H27N9O/c1-36-12-11-24(21-13-17(29)5-10-25(21)36)33-19-8-9-20(23(30)14-19)27(38)34-18-6-3-16(4-7-18)22-15-37(2)28(32)35-26(22)31/h3-15H,29H2,1-2H3,(H6,30,31,32,34,35,38)/p+1</moldb-inchi>
  <moldb-inchikey>ZJNOIFBMPBFPIS-UHFFFAOYSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">506.2416816</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</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>CHEM343867</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-amino-4-[(6-amino-1-methylquinolin-4-ylidene)amino]-n-[4-(2,4-diamino-1-methylpyrimidin-1-ium-5-yl)phenyl]benzamide</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>Benzene and substituted derivatives</klass>
  <subklass>Anilides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0298310</sync-id>
  <structure-inchikey>ZJNOIFBMPBFPIS-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>400001040000000000000000000000000000100200002000000000800000000000000000100028000002000080000000200090011000002002000000000000000000000000800000000000120000040030000400004000000000000000000010000000011000000100080800200000100000002000000000002000000000040000400000400000000004080809000000000000000000000400000000000000000000000040000080000004020000000005000000000000000000000000000000000000010400000000000000000000000000000000200000040000040008000000003000040000000000400000000000000220100000004000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAmAAAAKgAAAIABBgBgAAAAAQMHQCgAAAAD
AwZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBwAoAAAAAwMGQCgAAAADBAZA
aAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGACgA
AAADBAgAKAAAAAMCBwBoAAAAAwIBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAAD
AwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMB
B2AqAAAAAQMEBkAoAAAAAwQHQCgAAAADAwZAKAAAAAMEBwBoAAAAAwECBwBo
AAAAAwECBgBgAAAAAQMHAGgAAAADAQIGQCgAAAADBAZAKAAAAAMEBkBoAAAA
AwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEHAGgAAAADAQILAAEAAQJo
DAIDaAwDBGgMBAUoAgUGIAYHaAwHCGgMCAloDAkKaAwKC2gMCQwgDA0oAgwO
IA4PIA8QaAwQEWgMERJoDBITaAwTFGgMEhUgFRZoDBYXaAwXGGgMGBloDBka
aAwaGyAYHCAXHQAIHiAEH2gMHyBoDCAhaAwhImgMIiNoDCMkaAwjJSAgAWgM
CwZoDBQPaAwaFWgMJB9oDEIFAAAABgEgHwQDAgYHCAkKCwYGEBESExQPBhYX
GBkaFQYhIiMkHyAXBAAAAAAAAAAW
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:46:30Z</structure-indexed-at>
</compound>
