139447 <common-name>IDN-7314</common-name> <description nil="true"/> <cas>254750-11-3</cas> <pubchem-id nil="true"/> <chemical-formula>C22H17F6N3O7</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">2026-04-14T21:56:34Z</created-at> <updated-at type="dateTime">2026-05-14T20:06:33Z</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>DB18073</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>C[C@H](NC(=O)C(=O)NC1=C(F)C=CC=C1F)C(=O)N[C@@H](CC(O)=O)C(=O)COC1=C(F)C(F)=CC(F)=C1F</moldb-smiles> <moldb-formula>C22H17F6N3O7</moldb-formula> <moldb-inchi>InChI=1S/C22H17F6N3O7/c1-8(29-21(36)22(37)31-18-9(23)3-2-4-10(18)24)20(35)30-13(6-15(33)34)14(32)7-38-19-16(27)11(25)5-12(26)17(19)28/h2-5,8,13H,6-7H2,1H3,(H,29,36)(H,30,35)(H,31,37)(H,33,34)/t8-,13-/m0/s1</moldb-inchi> <moldb-inchikey>VMPUKWSLCRUGSR-SDBXPKJASA-N</moldb-inchikey> <moldb-average-mass type="decimal">549.382</moldb-average-mass> <moldb-mono-mass type="decimal">549.097068877</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.16</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>CHEM135340</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>(3S)-3-[(2S)-2-{[(2,6-difluorophenyl)carbamoyl]formamido}propanamido]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid</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>Peptidomimetics</klass> <subklass>Hybrid peptides</subklass> <paper-count type="integer" nil="true"/> </compound>