<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">364428</id>
  <title nil="true"/>
  <common-name>1-[4-[4-[bis[2-hydroxy-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propyl]amino]phenyl]sulfonyl-n-[2-hydroxy-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propyl]anilino]-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol</common-name>
  <description>1-[4-[4-[bis[2-hydroxy-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propyl]amino]phenyl]sulfonyl-n-[2-hydroxy-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propyl]anilino]-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol has the chemical formula C96H108N2O18S. With an average molecular weight of 1,610 g/mol, 1-[4-[4-[bis[2-hydroxy-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propyl]amino]phenyl]sulfonyl-n-[2-hydroxy-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propyl]anilino]-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol is a heavy molecule.</description>
  <cas>146504-32-7</cas>
  <pubchem-id>44149998</pubchem-id>
  <chemical-formula>C96H108N2O18S</chemical-formula>
  <weight>1609.9</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">2026-09-01T14:27:56Z</created-at>
  <updated-at type="dateTime">2026-09-01T14:27:56Z</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>CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC(CN(CC(COC4=CC=C(C=C4)C(C)(C)C5=CC=C(C=C5)OCC6CO6)O)C7=CC=C(C=C7)S(=O)(=O)C8=CC=C(C=C8)N(CC(COC9=CC=C(C=C9)C(C)(C)C1=CC=C(C=C1)OCC1CO1)O)CC(COC1=CC=C(C=C1)C(C)(C)C1=CC=C(C=C1)OCC1CO1)O)O</moldb-smiles>
  <moldb-formula>C96H108N2O18S</moldb-formula>
  <moldb-inchi>InChI=1S/C96H108N2O18S/c1-93(2,69-17-37-83(38-18-69)109-57-87-61-113-87)65-9-29-79(30-10-65)105-53-75(99)49-97(50-76(100)54-106-80-31-11-66(12-32-80)94(3,4)70-19-39-84(40-20-70)110-58-88-62-114-88)73-25-45-91(46-26-73)117(103,104)92-47-27-74(28-48-92)98(51-77(101)55-107-81-33-13-67(14-34-81)95(5,6)71-21-41-85(42-22-71)111-59-89-63-115-89)52-78(102)56-108-82-35-15-68(16-36-82)96(7,8)72-23-43-86(44-24-72)112-60-90-64-116-90/h9-48,75-78,87-90,99-102H,49-64H2,1-8H3</moldb-inchi>
  <moldb-inchikey>PSVZDGCWLMTFEU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1608.731786</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>17</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>CHEM360321</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-[4-[4-[bis[2-hydroxy-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propyl]amino]phenyl]sulfonyl-n-[2-hydroxy-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propyl]anilino]-3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Diphenylmethanes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0314421</sync-id>
  <structure-inchikey>PSVZDGCWLMTFEU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40800000000000000000a00002002200000000000000000000000000100000000000000000000001200000020000000000800000000000000000000002000000000000000000000000000000000000000020a00001000100001200000004000000000020210000000000000000004000000000020000000080000000000000100000000040000c00008000000000800000000000000000080000000000000000000000000000000000000000080100000040000004080000080000000000100000000000100000000000000000000000400001000000000000000200000000000000000400000000080040000000000010008000000000000002000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAB1AAAAggAAAIABBgBgAAAAAQMGACAAAAAE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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:00:51Z</structure-indexed-at>
</compound>
