141874 <common-name>Epsametostat</common-name> <description>Epsametostat is a chemical compound with the formula C31H36F3N7O3. With an average molecular weight of 611.67 g/mol, Epsametostat is a heavy molecule.</description> <cas>2202678-06-4</cas> <pubchem-id nil="true"/> <chemical-formula>C31H36F3N7O3</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">2026-04-15T18:20:03Z</created-at> <updated-at type="dateTime">2026-05-14T20:50:11Z</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>DB21726</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>COC1=C(CNC(=O)C2=CC3=C(C=CN3C([C@@H](C)N3CCN(CC(F)(F)F)CC3)=C2C)C2=CC=C(C)N=N2)C(=O)NC(C)=C1</moldb-smiles> <moldb-formula>C31H36F3N7O3</moldb-formula> <moldb-inchi>InChI=1S/C31H36F3N7O3/c1-18-6-7-25(38-37-18)22-8-9-41-26(22)15-23(29(42)35-16-24-27(44-5)14-19(2)36-30(24)43)20(3)28(41)21(4)40-12-10-39(11-13-40)17-31(32,33)34/h6-9,14-15,21H,10-13,16-17H2,1-5H3,(H,35,42)(H,36,43)/t21-/m1/s1</moldb-inchi> <moldb-inchikey>BIABSPVTTUDBEO-OAQYLSRUSA-N</moldb-inchikey> <moldb-average-mass type="decimal">611.67</moldb-average-mass> <moldb-mono-mass type="decimal">611.283172536</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>CHEM137767</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"/> <kingdom nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0094929</sync-id> <structure-inchikey>BIABSPVTTUDBEO-OAQYLSRUSA-N</structure-inchikey> <structure-fingerprint>400000000004000000208000000020000000000000000000040004000000004910000010000800300001000080000020040000000000000000000000020000000000000000000000000000202000c02000200000000001000000000800221000000000800104000000440000001000000000000201000000000008000000000040000002400000000004802000000000c008000c000000000000000000004000000000000400020000000000080000000000000000040000008000000000000080000000000000000000001000000001000000000002002010004604000000010020100000000010000040000000000400800000000060000100010000002001</structure-fingerprint> 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