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<compound>
  <id type="integer">141496</id>
  <title nil="true"/>
  <common-name>Barixibat</common-name>
  <description>Barixibat belongs to the linear 1,3-diarylpropanoids, a class of phenylpropanoids and polyketides within the organic compounds. It has the chemical formula C42H55N5O8. With an average molecular weight of 757.93 g/mol, Barixibat is a heavy molecule.</description>
  <cas>263562-28-3</cas>
  <pubchem-id>10234172</pubchem-id>
  <chemical-formula>C42H55N5O8</chemical-formula>
  <weight>757.9</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">2026-04-15T17:53:24Z</created-at>
  <updated-at type="dateTime">2026-08-22T14:23:28Z</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>DB21209</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>OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NCCCCCCCCCCC(=O)NC1=C(C=CC=C1)[C@@H](NC1=NC=CC=C1)[C@@H]([C@H](O)C1=CC=CC=C1)C1=NC=CC=C1</moldb-smiles>
  <moldb-formula>C42H55N5O8</moldb-formula>
  <moldb-inchi>InChI=1S/C42H55N5O8/c48-28-33(49)39(52)40(53)41(54)42(55)45-27-15-6-4-2-1-3-5-10-24-35(50)46-31-21-12-11-20-30(31)37(47-34-23-14-17-26-44-34)36(32-22-13-16-25-43-32)38(51)29-18-8-7-9-19-29/h7-9,11-14,16-23,25-26,33,36-41,48-49,51-54H,1-6,10,15,24,27-28H2,(H,44,47)(H,45,55)(H,46,50)/t33-,36+,37-,38-,39-,40+,41-/m1/s1</moldb-inchi>
  <moldb-inchikey>LNLNLJFTSXTELN-TVKRVUGASA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">757.929</moldb-average-mass>
  <moldb-mono-mass type="decimal">757.405063751</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"/>
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  <structure-image-content-type nil="true"/>
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  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM137389</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-[2-[(1S,2R,3S)-3-hydroxy-3-phenyl-2-pyridin-2-yl-1-(pyridin-2-ylamino)propyl]phenyl]-11-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]undecanamide</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>Phenylpropanoids and polyketides</superklass>
  <klass>Linear 1,3-diarylpropanoids</klass>
  <subklass nil="true"/>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0067078</sync-id>
  <structure-inchikey>LNLNLJFTSXTELN-TVKRVUGASA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:52:14Z</structure-indexed-at>
</compound>
