<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">141435</id>
  <title nil="true"/>
  <common-name>Amsilarotene</common-name>
  <description>Amsilarotene belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C20H27NO3Si2 and an average molecular weight of 385.61 g/mol.</description>
  <cas>125973-56-0</cas>
  <pubchem-id>9800306</pubchem-id>
  <chemical-formula>C20H27NO3Si2</chemical-formula>
  <weight>385.6</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">2026-04-15T17:46:39Z</created-at>
  <updated-at type="dateTime">2026-08-20T06:27:57Z</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>DB21085</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>C[Si](C)(C)C1=CC(=CC(=C1)C(=O)NC1=CC=C(C=C1)C(O)=O)[Si](C)(C)C</moldb-smiles>
  <moldb-formula>C20H27NO3Si2</moldb-formula>
  <moldb-inchi>InChI=1S/C20H27NO3Si2/c1-25(2,3)17-11-15(12-18(13-17)26(4,5)6)19(22)21-16-9-7-14(8-10-16)20(23)24/h7-13H,1-6H3,(H,21,22)(H,23,24)</moldb-inchi>
  <moldb-inchikey>VVTNSTLJOVCBDL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">385.61</moldb-average-mass>
  <moldb-mono-mass type="decimal">385.152946803</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>CHEM137328</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>4-[[3,5-bis(trimethylsilyl)benzoyl]amino]benzoic acid</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>Anilides</subklass>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0063603</sync-id>
  <structure-inchikey>VVTNSTLJOVCBDL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000000000000100000000000000000800200000000000000200000000002004000000008000000080000002000000000000000000000000000000000000000020800000000000000000000000000000000000010000000010000000100000000000000000000000000000000000000000000040000400000000000004200080000000000000000000000000000000000000000000000000000000085000000000000000000000000000000000000000000010000000000000000000000000000000004000000000000200000000001000008000000000000040000000000400000000000000200000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAaAAAAGwAAAIABBgBgAAAAAQMOICAAAAAE
BgBgAAAAAQMGAGAAAAABAwZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQGgA
AAADAwEGQCgAAAADBAZAaAAAAAMDAQYAKAAAAAMECAAoAAAAAwIHAGgAAAAD
AgEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMB
BkBoAAAAAwMBBgAoAAAAAwQIAGgAAAADAQEIACgAAAADAg4gIAAAAAQGAGAA
AAABAwYAYAAAAAEDBgBgAAAAAQMLAAEAAQIAAQMAAQQABAVoDAUGaAwGB2gM
BwhoDAgJaAwICiAKCygCCgwgDA0gDQ5oDA4PaAwPEGgMEBFoDBESaAwQEyAT
FCATFSgCBhYAFhcAFhgAFhkACQRoDBINaAxCAgAAAAYECQgHBgUGDg8QERIN
FwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:52:11Z</structure-indexed-at>
</compound>
