<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">355438</id>
  <title nil="true"/>
  <common-name>(1-ethylcyclopentyl) n-[(1s,4r,6s,7z,14s,18r)-18-(7-methoxy-3-methylquinoxalin-2-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate</common-name>
  <description>(1-ethylcyclopentyl) n-[(1s,4r,6s,7z,14s,18r)-18-(7-methoxy-3-methylquinoxalin-2-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate is a chemical compound with the formula C40H54N6O9S. With an average molecular weight of 795.00 g/mol, (1-ethylcyclopentyl) n-[(1s,4r,6s,7z,14s,18r)-18-(7-methoxy-3-methylquinoxalin-2-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>145994364</pubchem-id>
  <chemical-formula>C40H54N6O9S</chemical-formula>
  <weight>795</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">2026-08-31T23:57:27Z</created-at>
  <updated-at type="dateTime">2026-08-31T23:57:27Z</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>CCC1(CCCC1)OC(=O)NC2CCCCCC=CC3CC3(NC(=O)C4CC(CN4C2=O)OC5=C(N=C6C=CC(=CC6=N5)OC)C)C(=O)NS(=O)(=O)C7(CC7)C</moldb-smiles>
  <moldb-formula>C40H54N6O9S</moldb-formula>
  <moldb-inchi>InChI=1S/C40H54N6O9S/c1-5-39(17-11-12-18-39)55-37(50)43-30-14-10-8-6-7-9-13-26-23-40(26,36(49)45-56(51,52)38(3)19-20-38)44-33(47)32-22-28(24-46(32)35(30)48)54-34-25(2)41-29-16-15-27(53-4)21-31(29)42-34/h9,13,15-16,21,26,28,30,32H,5-8,10-12,14,17-20,22-24H2,1-4H3,(H,43,50)(H,44,47)(H,45,49)/b13-9-/t26-,28-,30+,32+,40-/m1/s1</moldb-inchi>
  <moldb-inchikey>LKXFEIUKEHYFPB-MLMXUIFMSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">794.3672985</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.1</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>CHEM351331</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>(1-ethylcyclopentyl) n-[(1s,4r,6s,7z,14s,18r)-18-(7-methoxy-3-methylquinoxalin-2-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0305690</sync-id>
  <structure-inchikey>LKXFEIUKEHYFPB-UHFFFAOYSA-N</structure-inchikey>
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  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:53:21Z</structure-indexed-at>
</compound>
