<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">346094</id>
  <title nil="true"/>
  <common-name>N-[(e)-(2-methyl-1h-indol-3-yl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1h-pyrazole-5-carboxamide</common-name>
  <description>N-[(e)-(2-methyl-1h-indol-3-yl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1h-pyrazole-5-carboxamide is a chemical compound with the formula C27H23N5O2. It has an average molecular weight of 449.50 g/mol.</description>
  <cas>303106-91-4</cas>
  <pubchem-id>135572023</pubchem-id>
  <chemical-formula>C27H23N5O2</chemical-formula>
  <weight>449.5</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">2026-08-31T09:25:12Z</created-at>
  <updated-at type="dateTime">2026-08-31T09:25:12Z</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>CC1=C(C2=CC=CC=C2N1)C=NNC(=O)C3=CC(=NN3)C4=CC=C(C=C4)OCC5=CC=CC=C5</moldb-smiles>
  <moldb-formula>C27H23N5O2</moldb-formula>
  <moldb-inchi>InChI=1S/C27H23N5O2/c1-18-23(22-9-5-6-10-24(22)29-18)16-28-32-27(33)26-15-25(30-31-26)20-11-13-21(14-12-20)34-17-19-7-3-2-4-8-19/h2-16,29H,17H2,1H3,(H,30,31)(H,32,33)/b28-16+</moldb-inchi>
  <moldb-inchikey>XQGHYDAGNGWOBQ-LQKURTRISA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">449.185175</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.1</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>CHEM341987</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-[(e)-(2-methyl-1h-indol-3-yl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1h-pyrazole-5-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>CED0296448</sync-id>
  <structure-inchikey>XQGHYDAGNGWOBQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20800002100104000100000000000000000000000000000000000000000002200000020000002024000000000040000000000002000000000000002000000000800100000000000022000000000b00000204000040000000000000010000000000000080100000800100080000000000000800000000000000000040200000800000200000000080800000000100000000000000000000000010000000000000040000080000000000000000080000000200000000000000000000040000000000000000000000000400000000002000004220000001000000000000000000001040000000000404000000000010000080080000000020</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAiAAAAJgAAAIABBgBgAAAAAQMGQCgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:44:56Z</structure-indexed-at>
</compound>
