<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">349291</id>
  <title nil="true"/>
  <common-name>N-(4-fluorophenyl)-4-methoxy-7-[(12e)-13-methoxy-7-methyl-3-oxa-11-azatricyclo[6.5.1.04,14]tetradeca-1,8(14),10,12-tetraen-9-yl]-1,1-dioxo-1-benzothiophen-3-amine</common-name>
  <description>N-(4-fluorophenyl)-4-methoxy-7-[(12e)-13-methoxy-7-methyl-3-oxa-11-azatricyclo[6.5.1.04,14]tetradeca-1,8(14),10,12-tetraen-9-yl]-1,1-dioxo-1-benzothiophen-3-amine is a chemical compound with the formula C29H27FN2O5S. With an average molecular weight of 534.60 g/mol, N-(4-fluorophenyl)-4-methoxy-7-[(12e)-13-methoxy-7-methyl-3-oxa-11-azatricyclo[6.5.1.04,14]tetradeca-1,8(14),10,12-tetraen-9-yl]-1,1-dioxo-1-benzothiophen-3-amine is a heavy molecule.</description>
  <cas>155857-43-5</cas>
  <pubchem-id>3074266</pubchem-id>
  <chemical-formula>C29H27FN2O5S</chemical-formula>
  <weight>534.6</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">2026-08-31T13:49:20Z</created-at>
  <updated-at type="dateTime">2026-08-31T13:49:20Z</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>CC1CCC2C3=C1C(C=NC=C(C3=CO2)OC)C4=C5C(=C(C=C4)OC)C(=CS5(=O)=O)NC6=CC=C(C=C6)F</moldb-smiles>
  <moldb-formula>C29H27FN2O5S</moldb-formula>
  <moldb-inchi>InChI=1S/C29H27FN2O5S/c1-16-4-10-24-27-21(14-37-24)25(36-3)13-31-12-20(26(16)27)19-9-11-23(35-2)28-22(15-38(33,34)29(19)28)32-18-7-5-17(30)6-8-18/h5-9,11-16,20,24,32H,4,10H2,1-3H3/b25-13+,31-12?</moldb-inchi>
  <moldb-inchikey>BUIMNULEJKHGEG-MMMBWKPUSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">534.1624713</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.6</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>CHEM345184</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-(4-fluorophenyl)-4-methoxy-7-[(12e)-13-methoxy-7-methyl-3-oxa-11-azatricyclo[6.5.1.04,14]tetradeca-1,8(14),10,12-tetraen-9-yl]-1,1-dioxo-1-benzothiophen-3-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>Benzenoids</superklass>
  <klass>Phenol ethers</klass>
  <subklass>Anisoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0299615</sync-id>
  <structure-inchikey>BUIMNULEJKHGEG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>300000000000220000002200000000100010020200000100010000000000400000000000000000000000000000002000000000004000200000040000110000000000000000000200000000000000000020800000004110000004000000000200000010000000000050000420000100000000020000000000000000000000101001000040000000010000000000000080050000001080004000000000080000000000040006000000000000080000012000000000200040000000000000080080000000000200000000000080000800020000004000000002001200000000000000000000000004000040000000000000800000000022000000000000001000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAmAAAAKwAAAIABBgBgAAAAAQMGAGAAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:47:24Z</structure-indexed-at>
</compound>
