<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">350569</id>
  <title nil="true"/>
  <common-name>4-[2-[3-(3,4-dimethoxyphenyl)-2-phenylpyrrolo[1,2-a]benzimidazol-4-yl]ethyl]morpholine</common-name>
  <description>4-[2-[3-(3,4-dimethoxyphenyl)-2-phenylpyrrolo[1,2-a]benzimidazol-4-yl]ethyl]morpholine is a chemical compound with the formula C30H31N3O3. It has an average molecular weight of 481.60 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3075314</pubchem-id>
  <chemical-formula>C30H31N3O3</chemical-formula>
  <weight>481.6</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">2026-08-31T15:43:05Z</created-at>
  <updated-at type="dateTime">2026-08-31T15:43:05Z</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>COC1=C(C=C(C=C1)C2=C3N(C=C2C4=CC=CC=C4)C5=CC=CC=C5N3CCN6CCOCC6)OC</moldb-smiles>
  <moldb-formula>C30H31N3O3</moldb-formula>
  <moldb-inchi>InChI=1S/C30H31N3O3/c1-34-27-13-12-23(20-28(27)35-2)29-24(22-8-4-3-5-9-22)21-33-26-11-7-6-10-25(26)32(30(29)33)15-14-31-16-18-36-19-17-31/h3-13,20-21H,14-19H2,1-2H3</moldb-inchi>
  <moldb-inchikey>NIEBHWWAGSAFJW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">481.2365419</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.8</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>CHEM346462</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>4-[2-[3-(3,4-dimethoxyphenyl)-2-phenylpyrrolo[1,2-a]benzimidazol-4-yl]ethyl]morpholine</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>Pyrroles</klass>
  <subklass>Substituted pyrroles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0300874</sync-id>
  <structure-inchikey>NIEBHWWAGSAFJW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000080020000000000080000000000000000000200000040000000000000000400001040800000000400000000000000000080000000000000100000000000000000000000008000000080000000010000000000804000000000000020000000004400000010000080000002010002000000000000000000000000004000010080000000000000400080000000010000000000040000000004000000000000000000000008000004000000004000000000a000000000000080000000000000010000000000000000000000000000000008001200000000010000001000000040000040000000000000000000000060000000004004000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAkAAAAKQAAAIABBgBgAAAAAQMIACgAAAAD
AgZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZA
aAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQHQCgAAAADAwZAaAAAAAMDAQZAKAAA
AAMEBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAAD
AwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMD
AQZAaAAAAAMDAQZAKAAAAAMEB0AoAAAAAwMGAGAAAAACAgYAYAAAAAICBwAg
AAAAAwYAYAAAAAICBgBgAAAAAgIIACAAAAACBgBgAAAAAgIGAGAAAAACAggA
KAAAAAMCBgBgAAAAAQMLAAEAAQIgAgNoDAMEaAwEBWgMBQZoDAYHaAwFCCAI
CWgMCQpoDAoLaAwLDGgMDA0gDQ5oDA4PaAwPEGgMEBFoDBESaAwKE2gMExRo
DBQVaAwVFmgMFhdoDBcYaAwYGWgMGRoAGhsAGxwAHB0AHR4AHh8AHyAAICEA
AyIgIiMABwJoDAwIaAwZCWgMEg1oDBgTaAwhHABCBgAAAAYCBwYFBAMFCwoJ
CAwGDg8QERINBhQVFhcYEwYdHh8gIRwFCQoTGBkXBAAAAAAAAAAW
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:48:34Z</structure-indexed-at>
</compound>
