323256 <common-name>N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-2-(4-methylpiperazin-1-yl)acetamide</common-name> <description>N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-2-(4-methylpiperazin-1-yl)acetamide is a chemical compound with the formula C20H24N4O2. It has an average molecular weight of 352.40 g/mol.</description> <cas nil="true"/> <pubchem-id>13518618</pubchem-id> <chemical-formula>C20H24N4O2</chemical-formula> <weight>352.4</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">2026-08-29T23:54:50Z</created-at> <updated-at type="dateTime">2026-08-29T23:54:50Z</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>CN1CCN(CC1)CC(=O)NC2C3=C(COC4=CC=CC=C24)N=CC=C3</moldb-smiles> <moldb-formula>C20H24N4O2</moldb-formula> <moldb-inchi>InChI=1S/C20H24N4O2/c1-23-9-11-24(12-10-23)13-19(25)22-20-15-6-4-8-21-17(15)14-26-18-7-3-2-5-16(18)20/h2-8,20H,9-14H2,1H3,(H,22,25)</moldb-inchi> <moldb-inchikey>YHMJBHISYMWNGD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">352.189926</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.1</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>CHEM319149</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-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-2-(4-methylpiperazin-1-yl)acetamide</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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0273943</sync-id> <structure-inchikey>YHMJBHISYMWNGD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000400000002080000000000000000000000200000001000000000000000004000000000000000000000010201000000000000040800000100000000000000000080000000000000040000000002080000000000000000008000000000000000001000000000000000000000800000002010000000000000000000010100010004000000080080000000000408000000000010000000008000000000000000000800000000000000008000000000000000008000000c000000000000000000000040000000000000000000000000000000008000000002200000000010000000000000000002040000000420480000008400000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`������� ������`�������`�������`�������(�������(�������h��������`������@(������@(�������`�������(������@(������@h�������@h�������@h�������@h�������@(������@(������@h�������@h�������@h�������������������������������� (�� ������ h� ������� ��h���h���h���h���h� �h���h���h���h���������h���h�B������������� ������������������ ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:27:39Z</structure-indexed-at> </compound>