136660 <common-name>SB-649868</common-name> <description>SB-649868 is an organic compound with the formula C26H24FN3O3S and an average molecular weight of 477.55 g/mol. SB-649868 belongs to the benzofurans, a class of organoheterocyclic compounds within the organic compounds. In terms of pharmacological activity, the compound is recorded as an antagonist of the Orexin/Hypocretin receptor type 1 (HCRTR1).</description> <cas>380899-24-1</cas> <pubchem-id>25195495</pubchem-id> <chemical-formula>C26H24FN3O3S</chemical-formula> <weight>477.6</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">2026-04-14T19:57:07Z</created-at> <updated-at type="dateTime">2026-08-22T06:08:40Z</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>DB14822</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>CC1=NC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC=CC3=C2C=CO3)=C(S1)C1=CC=C(F)C=C1</moldb-smiles> <moldb-formula>C26H24FN3O3S</moldb-formula> <moldb-inchi>InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1</moldb-inchi> <moldb-inchikey>ZJXIUGNEAIHSBI-IBGZPJMESA-N</moldb-inchikey> <moldb-average-mass type="decimal">477.55</moldb-average-mass> <moldb-mono-mass type="decimal">477.152240982</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.17</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>CHEM132553</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-{[(2S)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl}-1-benzofuran-4-carboxamide</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>Benzofurans</klass> <subklass nil="true"/> <paper-count type="integer">90</paper-count> <sync-id>CED0019644</sync-id> <structure-inchikey>ZJXIUGNEAIHSBI-IBGZPJMESA-N</structure-inchikey> <structure-fingerprint>802000000000000400002200000044010000000020000008000000000000000000000000002000000000000000000000000002200000000000011000000000000000000000000020804010000010000000000000000000001000010000000000000000080020800002020100000000000000200000100801000040000000800000200080000080800000000000000000400100000000000000000416000000040100080000002000000201000000008000008010400000008000000000000800008000000000020000000000002000000200000010000000800000000001000040000000000400800000000000000102000000000000</structure-fingerprint> 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