<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">137041</id>
  <title nil="true"/>
  <common-name>MK-6325</common-name>
  <description nil="true"/>
  <cas>1263814-52-3</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C42H56N6O9S</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-14T20:11:38Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:49:33Z</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>DB15249</drugbank-id>
  <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=CC2=C(C=C1)N=C1CCCCC[C@@H]3CCC[C@H]3OC(=O)N[C@H]3CCCCC\C=C\[C@@H]4C[C@]4(NC(=O)[C@@H]4C[C@H](CN4C3=O)OC1=N2)C(=O)NS(=O)(=O)C1(C)CC1</moldb-smiles>
  <moldb-formula>C42H56N6O9S</moldb-formula>
  <moldb-inchi>InChI=1S/C42H56N6O9S/c1-41(20-21-41)58(53,54)47-39(51)42-24-27(42)14-8-4-3-5-9-16-32-38(50)48-25-29(23-34(48)36(49)46-42)56-37-31(43-30-19-18-28(55-2)22-33(30)44-37)15-10-6-7-12-26-13-11-17-35(26)57-40(52)45-32/h8,14,18-19,22,26-27,29,32,34-35H,3-7,9-13,15-17,20-21,23-25H2,1-2H3,(H,45,52)(H,46,49)(H,47,51)/b14-8+/t26-,27-,29-,32+,34+,35-,42-/m1/s1</moldb-inchi>
  <moldb-inchikey>BLFKRFGLQFYXDF-WAZRELCSSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">821.0</moldb-average-mass>
  <moldb-mono-mass type="decimal">820.382948581</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.74</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>CHEM132934</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>(3R,20R,24R,28S,34E,36S,38R,41S)-9-methoxy-N-[(1-methylcyclopropyl)sulfonyl]-26,40,42-trioxo-4,25-dioxa-1,6,13,27,39-pentaazaheptacyclo[26.13.1.1^{3,41}.0^{5,14}.0^{7,12}.0^{20,24}.0^{36,38}]tritetraconta-5,7(12),8,10,13,34-hexaene-38-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"/>
</compound>
