<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">344317</id>
  <title nil="true"/>
  <common-name>N,n-dimethyl-3-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-13-yl)propan-1-amine</common-name>
  <description>N,n-dimethyl-3-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-13-yl)propan-1-amine is a compound with the chemical formula C26H25N3O. It has an average molecular weight of 395.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3069660</pubchem-id>
  <chemical-formula>C26H25N3O</chemical-formula>
  <weight>395.5</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">2026-08-31T06:12:24Z</created-at>
  <updated-at type="dateTime">2026-08-31T06:12:24Z</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>CN(C)CCCN1C2=CC=CC=C2C3=C(C4=CC=CC=C41)ON=C3C5=CC=CC=C5</moldb-smiles>
  <moldb-formula>C26H25N3O</moldb-formula>
  <moldb-inchi>InChI=1S/C26H25N3O/c1-28(2)17-10-18-29-22-15-8-6-13-20(22)24-25(19-11-4-3-5-12-19)27-30-26(24)21-14-7-9-16-23(21)29/h3-9,11-16H,10,17-18H2,1-2H3</moldb-inchi>
  <moldb-inchikey>YLNZNPKDELFRJW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">395.1997624</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.5</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>CHEM340210</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>N,n-dimethyl-3-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-13-yl)propan-1-amine</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>Benzazepines</klass>
  <subklass>Dibenzazepines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0294689</sync-id>
  <structure-inchikey>YLNZNPKDELFRJW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000200000000000000000000000000000800000000000000000100000008040002004000800000000000000010800000000000000000000000000080000000000000008800000000400000000008000000000000000000000000000000000004000000000000100201000000080000000000000000040000000800400000000004000900000000100000000000000000000000100000000000000000000080000000002000000000002000000000000000002000000000000000000000000010000000800000000000000001200000000000000000000000000000040000000010000000001400000000100000000080000</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�	
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��������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:43:37Z</structure-indexed-at>
</compound>
