<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">141794</id>
  <title nil="true"/>
  <common-name>Lepzacitinib</common-name>
  <description>Lepzacitinib is a compound with the chemical formula C18H21N5O3. It has an average molecular weight of 355.40 g/mol.</description>
  <cas>2321488-47-3</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C18H21N5O3</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">2026-04-15T18:15:47Z</created-at>
  <updated-at type="dateTime">2026-05-14T20:49:03Z</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>DB21646</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>CCOC(=O)C1=CN=C2NC=CC2=C1N[C@@H]1CCCN(C1)C(=O)CC#N</moldb-smiles>
  <moldb-formula>C18H21N5O3</moldb-formula>
  <moldb-inchi>InChI=1S/C18H21N5O3/c1-2-26-18(25)14-10-21-17-13(6-8-20-17)16(14)22-12-4-3-9-23(11-12)15(24)5-7-19/h6,8,10,12H,2-5,9,11H2,1H3,(H2,20,21,22)/t12-/m1/s1</moldb-inchi>
  <moldb-inchikey>QQOPOYMFJLUSBI-GFCCVEGCSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">355.398</moldb-average-mass>
  <moldb-mono-mass type="decimal">355.164439556</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>CHEM137687</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"/>
  <kingdom nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer">2</paper-count>
  <sync-id>CED0055724</sync-id>
  <structure-inchikey>QQOPOYMFJLUSBI-GFCCVEGCSA-N</structure-inchikey>
  <structure-fingerprint>810000000000002050000000000000000000000000000000000002000000000000000040402400000000400800020000000100000100000000000000000000000000000000000020000022000100010000001000010000000200030200000000000000000000000000020140000000000000000040102800000040000000400000200000000080000000000000000400020000000000000000000004000000040000088000000000000000080000008000002000000100000000000004000000000020000000004000000000006000000200000000000001000000000800080040000000000400000000000000000100004000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(������@(������@h�������@(������@(������@8�������@h�������@h�������@(������@(�������h������� 4��������`�������`�������`�������(�������`�������(�������(�������`�������(�������(�������������� ��(��� ��h���h���h��	h�	
h�
�h���h��h�� �������������������� ��(������������h������h�B�����������	���
�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:52:30Z</structure-indexed-at>
</compound>
