<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">310286</id>
  <title nil="true"/>
  <common-name>6-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one</common-name>
  <description>6-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one is a compound with the formula C18H13N3O2. It has an average molecular weight of 303.30 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>136734737</pubchem-id>
  <chemical-formula>C18H13N3O2</chemical-formula>
  <weight>303.3</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">2026-08-29T05:26:39Z</created-at>
  <updated-at type="dateTime">2026-08-29T05:26:39Z</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>C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=C(N4)C=C(C=C5)O</moldb-smiles>
  <moldb-formula>C18H13N3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C18H13N3O2/c22-10-5-6-11-12-7-8-21-17(16(12)19-15(11)9-10)20-14-4-2-1-3-13(14)18(21)23/h1-6,9,19,22H,7-8H2</moldb-inchi>
  <moldb-inchikey>LZNDAOKPOOIXKH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">303.1007767</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.7</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>CHEM306179</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>6-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one</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>Organoheterocyclic compounds</superklass>
  <klass>Indoles and derivatives</klass>
  <subklass>Pyridoindoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0261265</sync-id>
  <structure-inchikey>LZNDAOKPOOIXKH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100000100101000000100000000000000000000000000000000040000020000000000040002604000000000000000000000000000080000000000000000000000000000000000020000000000000900000000040000000000000010000000000000000100000000000020100000000002000000000000000000000000000804000200000000000000000000100000000000000000000000000004000000000040200080000004000000000000000008000800000000000000000040000002000000000004000000000000000002004204200000000000000000000000001000040000000000000000000000100000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAGwAAAIABBgBgAAAAAgIGAGAAAAAC
AgdAKAAAAAMDBkAoAAAAAwQHQCgAAAADAwZAKAAAAAMEBkBoAAAAAwMBBkBo
AAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAgAKAAA
AAMCBkAoAAAAAwQGQCgAAAADBAZAKAAAAAMEBkAoAAAAAwQHQDgAAAADAQMG
QGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQgAaAAAAAMBAQsA
AQABAgACA2gMAwRoDAQFaAwFBmgMBgdoDAcIaAwICWgMCQpoDAoLaAwLDCgC
Aw0gDQ5oDA4PaAwPEGgMEBFoDBASaAwSE2gMExRoDBQVaAwTFiAOAAALAmgM
CgVoDBENaAwVD2gMQgUAAAAGAA4NAwIBBgQFCgsCAwYGBwgJCgUFERAPDg0G
EhMUFQ8QFwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:17:45Z</structure-indexed-at>
</compound>
