141274 <common-name>Defoslimod</common-name> <description nil="true"/> <cas>171092-39-0</cas> <pubchem-id nil="true"/> <chemical-formula>C53H102N2O20P2</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">2026-04-15T17:35:53Z</created-at> <updated-at type="dateTime">2026-05-14T20:37:39Z</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>DB20763</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>CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]2NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O[C@H]1COP(O)(O)=O</moldb-smiles> <moldb-formula>C53H102N2O20P2</moldb-formula> <moldb-inchi>InChI=1S/C53H102N2O20P2/c1-4-7-10-13-16-19-22-25-28-31-39(57)34-44(58)54-47-42(38-71-76(64,65)66)73-43(49(61)50(47)62)37-70-53-48(51(63)52(41(36-56)74-53)75-77(67,68)69)55-45(59)35-40(32-29-26-23-20-17-14-11-8-5-2)72-46(60)33-30-27-24-21-18-15-12-9-6-3/h39-43,47-53,56-57,61-63H,4-38H2,1-3H3,(H,54,58)(H,55,59)(H2,64,65,66)(H2,67,68,69)/t39-,40-,41-,42+,43-,47+,48-,49-,50-,51-,52-,53-/m1/s1</moldb-inchi> <moldb-inchikey>UUVVKHSZRKZOGM-CUECXTGJSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1149.341</moldb-average-mass> <moldb-mono-mass type="decimal">1148.650117688</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>CHEM137167</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"/> </compound>