<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">141846</id>
  <title nil="true"/>
  <common-name>Surzetoclax</common-name>
  <description nil="true"/>
  <cas>2858632-01-4</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C53H63ClN8O10S</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">2026-04-15T18:18:56Z</created-at>
  <updated-at type="dateTime">2026-05-14T20:49:47Z</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>DB21698</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>CO[C@@H]1CC[C@@H](CNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C2=C(C=C(C=C2)N2CCN3CC4=C(CC(C)(C)C[C@H]4OCCCOC[C@@H]3C2)C2=CC=C(Cl)C=C2)N2CCCOC3=C2C=C2C=CNC2=N3)[N+]([O-])=O)OC1</moldb-smiles>
  <moldb-formula>C53H63ClN8O10S</moldb-formula>
  <moldb-inchi>InChI=1S/C53H63ClN8O10S/c1-53(2)27-43(34-6-8-36(54)9-7-34)44-31-60-20-19-59(30-38(60)32-69-21-5-23-70-49(44)28-53)37-10-14-42(46(25-37)61-18-4-22-71-52-48(61)24-35-16-17-55-50(35)57-52)51(63)58-73(66,67)41-13-15-45(47(26-41)62(64)65)56-29-39-11-12-40(68-3)33-72-39/h6-10,13-17,24-26,38-40,49,56H,4-5,11-12,18-23,27-33H2,1-3H3,(H,55,57)(H,58,63)/t38-,39-,40+,49-/m0/s1</moldb-inchi>
  <moldb-inchikey>AWGQQZVAXXLVMT-ORYVFAGJSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1039.64</moldb-average-mass>
  <moldb-mono-mass type="decimal">1038.4076391</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM137739</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 nil="true"/>
  <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>
