<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">353722</id>
  <title nil="true"/>
  <common-name>3-[4-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]phenoxy]-2-[1-(2,4-dichlorophenyl)-1-hydroxy-2-(1,2,4-triazol-1-yl)ethoxy]propanal</common-name>
  <description>3-[4-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]phenoxy]-2-[1-(2,4-dichlorophenyl)-1-hydroxy-2-(1,2,4-triazol-1-yl)ethoxy]propanal is a compound with the chemical formula C35H38Cl2N8O5. With an average molecular weight of 721.60 g/mol, 3-[4-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]phenoxy]-2-[1-(2,4-dichlorophenyl)-1-hydroxy-2-(1,2,4-triazol-1-yl)ethoxy]propanal is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>155543717</pubchem-id>
  <chemical-formula>C35H38Cl2N8O5</chemical-formula>
  <weight>721.6</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">2026-08-31T20:46:29Z</created-at>
  <updated-at type="dateTime">2026-08-31T20:46:29Z</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>CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC(C=O)OC(CN5C=NC=N5)(C6=C(C=C(C=C6)Cl)Cl)O</moldb-smiles>
  <moldb-formula>C35H38Cl2N8O5</moldb-formula>
  <moldb-inchi>InChI=1S/C35H38Cl2N8O5/c1-3-25(2)45-34(47)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)49-20-31(19-46)50-35(48,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18-19,22-25,31,48H,3,14-17,20-21H2,1-2H3</moldb-inchi>
  <moldb-inchikey>UGNSXICMOQFEIR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">720.2342217</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.8</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>CHEM349615</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>3-[4-[4-[4-(1-butan-2-yl-5-oxo-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]phenoxy]-2-[1-(2,4-dichlorophenyl)-1-hydroxy-2-(1,2,4-triazol-1-yl)ethoxy]propanal</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>CED0304004</sync-id>
  <structure-inchikey>UGNSXICMOQFEIR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000001000000200800002002200000000000400000000000080004000400000001002000020200000000002802000000300100000000000000000400008040000000800480000000000000104000030000000510380000200000010000010000000010080000000000000100000010000020900000000000010000800008000000040000000000000001000000000010000000000400000000001080000000000000000000000000000080000040200000004080000008000000800000400800000000001001000000000000000000010000500000000000200000000000000102040000000000040000000080000000000000000010000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAyAAAANwAAAIABBgBgAAAAAQMGAGAAAAAC
AgYAYAAAAAMBBgBgAAAAAQMHQCgAAAADAwZAKAAAAAMECAAoAAAAAwIHQCgA
AAADAwZAaAAAAAMDAQdAKAAAAAMDBkAoAAAAAwQGQGgAAAADAwEGQGgAAAAD
AwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQcAKAAAAAMDBgBgAAAAAgIG
AGAAAAACAgcAKAAAAAMDBgBgAAAAAgIGAGAAAAACAgZAKAAAAAMEBkBoAAAA
AwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEIACgAAAAD
AgYAYAAAAAICBgBgAAAAAwEGAGgAAAADAwEIACgAAAADAggAIAAAAAIGACAA
AAAEBgBgAAAAAgIHQCgAAAADAwZAaAAAAAMDAQdAKAAAAAMDBkBoAAAAAwMB
B0AoAAAAAwMGQCgAAAADBAZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQGgA
AAADAwEGQGgAAAADAwERACAAAAABEQAgAAAAAQgAYAAAAAEBCwABAAECAAID
AAIEAAQFaAwFBigCBQdoDAcIaAwICWgMBwogCgtoDAsMaAwMDWgMDQ5oDA4P
aAwNECAQEQAREgASEwATFAAUFQATFiAWF2gMFxhoDBgZaAwZGmgMGhtoDBkc
IBwdAB0eAB4fAB8gCAIeIQAhIgAiIwAjJAAkJWgMJSZoDCYnaAwnKGgMIikA
KSpoDCoraAwrLGgMLC1oDC0uaAwsLwAqMAAiMQAJBGgMDwpoDBUQABsWaAwo
JGgMLiloDEIGAAAABQQFBwgJBgsMDQ4PCgYREhMUFRAGFxgZGhsWBSUkKCcm
BiorLC0uKRcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:51:31Z</structure-indexed-at>
</compound>
