141427 <common-name>Derpanicate</common-name> <description nil="true"/> <cas>99518-29-3</cas> <pubchem-id nil="true"/> <chemical-formula>C46H54N8O12S2</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">2026-04-15T17:45:44Z</created-at> <updated-at type="dateTime">2026-05-14T20:41:26Z</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>DB21068</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>CC(C)(COC(=O)C1=CC=CN=C1)[C@@H](OC(=O)C1=CC=CN=C1)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](OC(=O)C1=CC=CN=C1)C(C)(C)COC(=O)C1=CC=CN=C1</moldb-smiles> <moldb-formula>C46H54N8O12S2</moldb-formula> <moldb-inchi>InChI=1S/C46H54N8O12S2/c1-45(2,29-63-41(59)31-9-5-15-47-25-31)37(65-43(61)33-11-7-17-49-27-33)39(57)53-19-13-35(55)51-21-23-67-68-24-22-52-36(56)14-20-54-40(58)38(66-44(62)34-12-8-18-50-28-34)46(3,4)30-64-42(60)32-10-6-16-48-26-32/h5-12,15-18,25-28,37-38H,13-14,19-24,29-30H2,1-4H3,(H,51,55)(H,52,56)(H,53,57)(H,54,58)/t37-,38-/m0/s1</moldb-inchi> <moldb-inchikey>MEFAKOINNJLWFO-UWXQCODUSA-N</moldb-inchikey> <moldb-average-mass type="decimal">975.1</moldb-average-mass> <moldb-mono-mass type="decimal">974.330261559</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>CHEM137320</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>