145785 <common-name>SW033291</common-name> <description>SW033291 belongs to the phenylpyridines, a subclass of pyridines and derivatives within the organic compounds. It is an organoheterocyclic compound with the formula C21H20N2OS3 and an average molecular weight of 412.58 g/mol.</description> <cas>459147-39-8</cas> <pubchem-id>3337839</pubchem-id> <chemical-formula>C21H20N2OS3</chemical-formula> <weight>412.6</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">2026-05-14T21:06:21Z</created-at> <updated-at type="dateTime">2026-08-21T18:27:44Z</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>DB32765</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>CCCCS(=O)C1=C(N)C2=C(C=C(N=C2S1)C1=CC=CS1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C21H20N2OS3</moldb-formula> <moldb-inchi>InChI=1S/C21H20N2OS3/c1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17/h4-11,13H,2-3,12,22H2,1H3</moldb-inchi> <moldb-inchikey>LCYAYKSMOVLVRL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">412.58</moldb-average-mass> <moldb-mono-mass type="decimal">412.073776794</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.7</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>CHEM141678</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>2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine</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>Organoheterocyclic compounds</superklass> <klass>Pyridines and derivatives</klass> <subklass>Phenylpyridines</subklass> <paper-count type="integer">104</paper-count> <sync-id>CED0018783</sync-id> <structure-inchikey>LCYAYKSMOVLVRL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000200008000000000040000000020000000000000020000400000001000020000000000000080000021040000004010020000200020000000010000000000000080000100000000000000200000100000000010000080000000000000200000000000000000001000000000000000000000000008000000000000000000c0000000800000000400000000801000000110000000000000804000000000000000000200000000080000000000020000004000000000000000000000000041002000000000000000000000000000000000000000000200000000000000000000000001000040000000010000040000000000008000000000000002</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���h���h� � ��h���h���h���h���h���h���h���h�� h�B������� ����� � �����������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:52:41Z</structure-indexed-at> </compound>