<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347014</id>
  <title nil="true"/>
  <common-name>1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)pent-4-enyl]urea</common-name>
  <description>1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)pent-4-enyl]urea is a chemical compound with the formula C27H35N3O. It has an average molecular weight of 417.60 g/mol.</description>
  <cas>145131-35-7</cas>
  <pubchem-id>3072909</pubchem-id>
  <chemical-formula>C27H35N3O</chemical-formula>
  <weight>417.6</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">2026-08-31T10:37:51Z</created-at>
  <updated-at type="dateTime">2026-08-31T10:37:51Z</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)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC(CC=C)C2=CN(C3=CC=CC=C32)C</moldb-smiles>
  <moldb-formula>C27H35N3O</moldb-formula>
  <moldb-inchi>InChI=1S/C27H35N3O/c1-7-11-20(24-17-30(6)25-15-9-8-12-23(24)25)16-28-27(31)29-26-21(18(2)3)13-10-14-22(26)19(4)5/h7-10,12-15,17-20H,1,11,16H2,2-6H3,(H2,28,29,31)</moldb-inchi>
  <moldb-inchikey>HFGYLOGJOJIPCK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">417.2780127</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.1</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>CHEM342907</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-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)pent-4-enyl]urea</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>N-phenylureas</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0297362</sync-id>
  <structure-inchikey>HFGYLOGJOJIPCK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000004000000008000000000400000000000000080040000000004000000000010000000800000000000000004000002000000000000008000000000010000000200000000040002021000000000200000000012000000000040000000000000000100000000004000000000000000000001080000000000000000000000010000400000008000000000800040840000000001000000000000000010000c0000000000000000040200080000004000000000000000000000000000000000000000040000000000000000040004000020000000000000000200000000000040008000000000000040000000000400000000000000000400000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAfAAAAIQAAAIABBgBgAAAAAQMGAGAAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:45:37Z</structure-indexed-at>
</compound>
