140778 <common-name>Disulergine</common-name> <description nil="true"/> <cas>59032-40-5</cas> <pubchem-id nil="true"/> <chemical-formula>C17H24N4O2S</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">2026-04-15T16:55:21Z</created-at> <updated-at type="dateTime">2026-05-14T20:17:02Z</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>DB19639</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>[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CN2C)NS(=O)(=O)N(C)C</moldb-smiles> <moldb-formula>C17H24N4O2S</moldb-formula> <moldb-inchi>InChI=1S/C17H24N4O2S/c1-20(2)24(22,23)19-12-8-14-13-5-4-6-15-17(13)11(9-18-15)7-16(14)21(3)10-12/h4-6,9,12,14,16,18-19H,7-8,10H2,1-3H3/t12-,14-,16-/m0/s1</moldb-inchi> <moldb-inchikey>VUEGYUOUAAVYAS-JGGQBBKZSA-N</moldb-inchikey> <moldb-average-mass type="decimal">348.47</moldb-average-mass> <moldb-mono-mass type="decimal">348.161997203</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>CHEM136671</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>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Quinolines and derivatives</klass> <subklass>Indoloquinolines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0182021</sync-id> <structure-inchikey>VUEGYUOUAAVYAS-JGGQBBKZSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000100000000002000000000200000010000000000000000000000000000020000100000000000000000000100000002000002000000000000000008000000000000000020000000000000000000001000001000000000020000000000000000004000000100020100000000000000000000101001000040000000800200200000004080100400000000040000080000000000000c00000000000000000000480000000000000000000000480000000000000000000000000000000000000020000000100000400000000002000200000001000400000000000000000041000000000000004000000000008010000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€�� 4��������`������@(������@h�������@8�������@(������@h�������@h�������@h�������@(������@(������ 4��������`������ 4��������`������� ������`�������`������� ������(�������(������� ������`�������`��������������h���h���h���h���h���h�� h� h� ������ � �������� ���������������������������� �h� �h�B������� ����� ������ ��� ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:51:30Z</structure-indexed-at> </compound>