<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">324025</id>
  <title nil="true"/>
  <common-name>[(4s,6s,7r,8s)-7-methoxy-12-methyl-11-(3-methylbutoxy)-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>109374254</pubchem-id>
  <chemical-formula>C20H27N3O6</chemical-formula>
  <weight>405.4</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">2026-08-30T00:56:24Z</created-at>
  <updated-at type="dateTime">2026-08-30T00:56:24Z</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>CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)OCCC(C)C</moldb-smiles>
  <moldb-formula>C20H27N3O6</moldb-formula>
  <moldb-inchi>InChI=1S/C20H27N3O6/c1-9(2)5-6-28-17-10(3)15(24)14-13(16(17)25)11(8-29-19(21)26)20(27-4)18-12(22-18)7-23(14)20/h9,11-12,18,22H,5-8H2,1-4H3,(H2,21,26)/t11-,12+,18+,20-/m1/s1</moldb-inchi>
  <moldb-inchikey>UPNBGVUKCAAEMH-PTTPRXRQSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">405.1899856</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.9</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>CHEM319918</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>[(4s,6s,7r,8s)-7-methoxy-12-methyl-11-(3-methylbutoxy)-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl 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>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Indoles and derivatives</klass>
  <subklass>Indolequinones</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0274686</sync-id>
  <structure-inchikey>UPNBGVUKCAAEMH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400400000000040040008000000000000008100000000000000000000000000000000010040008200080009000000000000000008001000000000000000000000000000000000000000000000000000000200000000001000000000010000000000000000100000000400000a00000000000000601000000800000000000001200000000480010008400002000008000000018000000000002008000000000000000200000000000000000000800000000000020400800000800000001000000000000000002000000000000000000000000000000002020800000000000010000000000000001000c0040000000000400000000200000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�������������������� ���€���`�������(�������(�������(�������(�������(�������(�������(�������(�������(�������`�������`�������`������� ������`�������`�������(�������(�������(�������h�������� ������`�������`�������(�������`�������`�������`�������`�������`�����������(��� ��(��� ��(��� ��(��	 	
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	����	����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:28:19Z</structure-indexed-at>
</compound>
