145757 <common-name>TRC253</common-name> <description>TRC253 belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C23H21F3N6O2S. With an average molecular weight of 502.52 g/mol, TRC253 is a heavy molecule.</description> <cas>2110426-27-0</cas> <pubchem-id>130229812</pubchem-id> <chemical-formula>C23H21F3N6O2S</chemical-formula> <weight>502.5</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">2026-05-14T21:04:32Z</created-at> <updated-at type="dateTime">2026-08-21T23:50:20Z</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>DB30241</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>FC(F)(F)C1=C(N=CC(=C1)N1C(=S)N(C2=CN=C(OC3CCNCC3)C=C2)C2(CCC2)C1=O)C#N</moldb-smiles> <moldb-formula>C23H21F3N6O2S</moldb-formula> <moldb-inchi>InChI=1S/C23H21F3N6O2S/c24-23(25,26)17-10-15(13-29-18(17)11-27)31-20(33)22(6-1-7-22)32(21(31)35)14-2-3-19(30-12-14)34-16-4-8-28-9-5-16/h2-3,10,12-13,16,28H,1,4-9H2</moldb-inchi> <moldb-inchikey>OUEHJEYKNYQVRC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">502.52</moldb-average-mass> <moldb-mono-mass type="decimal">502.139879603</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM141650</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>5-[8-oxo-5-(6-piperidin-4-yloxy-3-pyridinyl)-6-sulfanylidene-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile</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">19</paper-count> <sync-id>CED0030244</sync-id> <structure-inchikey>OUEHJEYKNYQVRC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000080000000040002100000000000000000001080000004000010200000000004120000000000000002008000000102001000000000000000000000800800000000000000000000000000020000020000100000000000000000000000208804200000000000000100000100004020100000004000000000000100800000008000000000000a000008000002000100000000000000040000000000020000800040000000000000880000000000000000c000000010000000a000100000000200004020000000000000000000002000000040000000201000000000000000040000000000040000000000000800000000000000000000000280000</structure-fingerprint> <structure-pattern-fingerprint>7014c6008d32866089105b6581b8a200188014028107a01180bde042ca24c84c7c2200501380000c0100410802c000000c604225c08d3365036e653980a04214c71d8c891290160040901140137212020805c591d3611f374344056240225b258e29c52f104c322060098480ddb4024d358682728509e106711c2f6202710806525410194ef8820808861250cc2c4288393d985244429f8a50300ca060e0048641d3109310b2ca200a046968356d75144ac10203a943084018b04eb86cc10212a01190e48cd80b3319c086a4575142d10c010010035478204d7002042a012344913849341889812c114884155117a08e1a50063090c2042e1308918052110e06</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������#���'���€� � ������ ���� � ���� � �����@(������@(������@(������@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">2026-09-19T04:52:40Z</structure-indexed-at> </compound>