<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">352358</id>
  <title nil="true"/>
  <common-name>N-[1-[[1-(2-aminoethylsulfanyl)-2-methylpropyl]amino]-3-(1h-indol-3-yl)-1-oxobutan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide</common-name>
  <description>N-[1-[[1-(2-aminoethylsulfanyl)-2-methylpropyl]amino]-3-(1h-indol-3-yl)-1-oxobutan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide is a chemical compound with the formula C32H43N5O2S. With an average molecular weight of 561.80 g/mol, N-[1-[[1-(2-aminoethylsulfanyl)-2-methylpropyl]amino]-3-(1h-indol-3-yl)-1-oxobutan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>56603773</pubchem-id>
  <chemical-formula>C32H43N5O2S</chemical-formula>
  <weight>561.8</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">2026-08-31T18:38:24Z</created-at>
  <updated-at type="dateTime">2026-08-31T18:38:24Z</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)C(NC(=O)C(C(C)C1=CNC2=CC=CC=C21)NC(=O)N3CCC4(CCC5=CC=CC=C54)CC3)SCCN</moldb-smiles>
  <moldb-formula>C32H43N5O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C32H43N5O2S/c1-21(2)30(40-19-16-33)36-29(38)28(22(3)25-20-34-27-11-7-5-9-24(25)27)35-31(39)37-17-14-32(15-18-37)13-12-23-8-4-6-10-26(23)32/h4-11,20-22,28,30,34H,12-19,33H2,1-3H3,(H,35,39)(H,36,38)</moldb-inchi>
  <moldb-inchikey>UDRSIUYQZOTMRD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">561.3137468</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.4</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>CHEM348251</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-[1-[[1-(2-aminoethylsulfanyl)-2-methylpropyl]amino]-3-(1h-indol-3-yl)-1-oxobutan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0302647</sync-id>
  <structure-inchikey>UDRSIUYQZOTMRD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000100d00000000008008000000000020000400000000001004000000008000000000000000000000000000000000002000000000000000000000000400000000000000000020001000010000100002008001000000000000030000000000000000000000000000020100000000000400000000000000000048000000800000220010000081201002000100000000080000000000000000000000080000040000084000000000000000000808008000000000000000000000448000000003000010000000000000000008000000204200000481000000000000008000000041000000000400004000000008080000004000002000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������(���,���€���`�������`�������`�������`�������h��������(�������(�������`�������`�������`������@(������@h�������@8�������@(������@h�������@h�������@h�������@h�������@(�������h��������(�������(�������(�������`�������`������� ������`�������`������@(������@h�������@h�������@h�������@h�������@(�������`�������`������� ������`�������`�������`�������������������� ��(��������	��
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  <structure-indexed-at type="dateTime">2026-09-19T05:50:07Z</structure-indexed-at>
</compound>
