<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347936</id>
  <title nil="true"/>
  <common-name>9-(2-chlorophenyl)-3-methyl-n-(3,4,5-trimethoxyphenyl)-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carboxamide</common-name>
  <description>9-(2-chlorophenyl)-3-methyl-n-(3,4,5-trimethoxyphenyl)-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carboxamide is a chemical compound with the formula C28H27ClN6O4S. With an average molecular weight of 579.10 g/mol, 9-(2-chlorophenyl)-3-methyl-n-(3,4,5-trimethoxyphenyl)-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carboxamide is a heavy molecule.</description>
  <cas>132418-37-2</cas>
  <pubchem-id>3076774</pubchem-id>
  <chemical-formula>C28H27ClN6O4S</chemical-formula>
  <weight>579.1</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">2026-08-31T11:47:40Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:47:40Z</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=NN=C2N1C3=C(C4=C(S3)CN(CC4)C(=O)NC5=CC(=C(C(=C5)OC)OC)OC)C(=NC2)C6=CC=CC=C6Cl</moldb-smiles>
  <moldb-formula>C28H27ClN6O4S</moldb-formula>
  <moldb-inchi>InChI=1S/C28H27ClN6O4S/c1-15-32-33-23-13-30-25(17-7-5-6-8-19(17)29)24-18-9-10-34(14-22(18)40-27(24)35(15)23)28(36)31-16-11-20(37-2)26(39-4)21(12-16)38-3/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,31,36)</moldb-inchi>
  <moldb-inchikey>RAJIFZCRIPWFPR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">578.1503022</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</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>CHEM343829</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>9-(2-chlorophenyl)-3-methyl-n-(3,4,5-trimethoxyphenyl)-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carboxamide</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>Thienodiazepines</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0298272</sync-id>
  <structure-inchikey>RAJIFZCRIPWFPR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000001800000000000100000020800001000000200000004000000020000000000004000080420120000000000400000000400400000000000000000000004000000000000000800000200000100001000000080000000200000000000110010000400000011040000000040201000000000202800000000000000000c00000008000000000000000800800000001000000000000000000000000000000000000000800400c00010000000000000000000080000000000000800000000000000100000000000008000000100004008020022012000000000000000080000100000000c0000800000400000020000020000040004000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAoAAAALQAAAIABBgBgAAAAAQMGQCgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:46:28Z</structure-indexed-at>
</compound>
