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  <common-name>1-[4-(4-aminophenyl)sulfonylanilino]-3-[4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-n-(oxiran-2-ylmethyl)anilino]propan-2-ol</common-name>
  <description nil="true"/>
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  <pubchem-id>3034960</pubchem-id>
  <chemical-formula>C37H42N4O6S</chemical-formula>
  <weight>670.8</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
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  <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">2026-08-31T21:54:48Z</created-at>
  <updated-at type="dateTime">2026-08-31T21:54:48Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
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  <chebi-id nil="true"/>
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  <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>C1C(O1)CN(CC2CO2)C3=CC=C(C=C3)CC4=CC=C(C=C4)N(CC5CO5)CC(CNC6=CC=C(C=C6)S(=O)(=O)C7=CC=C(C=C7)N)O</moldb-smiles>
  <moldb-formula>C37H42N4O6S</moldb-formula>
  <moldb-inchi>InChI=1S/C37H42N4O6S/c38-28-5-13-36(14-6-28)48(43,44)37-15-7-29(8-16-37)39-18-32(42)19-40(20-33-23-45-33)30-9-1-26(2-10-30)17-27-3-11-31(12-4-27)41(21-34-24-46-34)22-35-25-47-35/h1-16,32-35,39,42H,17-25,38H2</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
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  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.3</logp>
  <hmdb-id 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>CHEM350297</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-aminophenyl)sulfonylanilino]-3-[4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-n-(oxiran-2-ylmethyl)anilino]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>CED0304686</sync-id>
  <structure-inchikey>NBRGOKJLMMDXRY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000020000a00000000000000000000000000100000000100000000000000000000201000010020000000000000000000000000000000000000000000000000000000000000002000000000020a00000000000001000000000000000000000210000002010000000004280000000020000000080000000000000100000000001000400008000200000000080009000000000080000000000000000000000000000000000000000080100000080020002004000080000000000140000000000100000000000000000004000000001000000000000000220000000000008000000001000080040000000000010000000000000000002000000000200</structure-fingerprint>
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  <structure-pickle>ï¾­Þ����������������0���6���€���`�������`������� ������`�������(�������`�������`�������`������� �����@(������@h�������@h�������@(������@h�������@h��������`������@(������@h�������@h�������@(������@h�������@h��������(�������`�������`�������`������� ������`�������`�������`�������h�������@(������@h�������@h�������@(������@h�������@h�������� ������(�������(������@(������@h�������@h�������@(������@h�������@h��������h��������`�������������������������������	 	
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�h���h��h��h���������h���h���h���h���h��� �������������������������� � h� !h�!"h�"#h�#$h�"%�%&amp;��%'��%(�()h�)*h�*+h�+,h�,-h�+. �/��������	h���h����$�h�-(h�B�������������
���	������������ !"#$��)*+,-(����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:52:19Z</structure-indexed-at>
</compound>
