145769 <common-name>MK-2048</common-name> <description>MK-2048 belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C21H21ClFN5O4 and an average molecular weight of 461.88 g/mol.</description> <cas>869901-69-9</cas> <pubchem-id nil="true"/> <chemical-formula>C21H21ClFN5O4</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">2026-05-14T21:05:08Z</created-at> <updated-at type="dateTime">2026-05-14T21:05:08Z</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>DB31336</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>CCN1C[C@H](C)N2C(=C(O)C3=C2C(=NN(CC2=CC=C(F)C(Cl)=C2)C3=O)C(=O)NC)C1=O</moldb-smiles> <moldb-formula>C21H21ClFN5O4</moldb-formula> <moldb-inchi>InChI=1S/C21H21ClFN5O4/c1-4-26-8-10(2)28-16-14(18(29)17(28)21(26)32)20(31)27(25-15(16)19(30)24-3)9-11-5-6-13(23)12(22)7-11/h5-7,10,29H,4,8-9H2,1-3H3,(H,24,30)/t10-/m1/s1</moldb-inchi> <moldb-inchikey>JSRREMIKIHJGAA-JTQLQIEISA-N</moldb-inchikey> <moldb-average-mass type="decimal">461.88</moldb-average-mass> <moldb-mono-mass type="decimal">461.12661</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>CHEM141662</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>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Carboxylic acid derivatives</subklass> <paper-count type="integer">119</paper-count> <sync-id>CED0018030</sync-id> <structure-inchikey>JSRREMIKIHJGAA-JTQLQIEISA-N</structure-inchikey> <structure-fingerprint>200000000000800000000400000001020000000000200080000000000002000042000220000000400202002000000000000800000000400002200080000000000000400000008000000000000020000000000010000000021080000000000000010000000000000000112000000000022100020000000000000000100000000040000000400800008040000080000000000000000000000000000800000000040000000000000000080000000000020080000000000180000000000080000000000000002000000000000000000010000000000000200220040000000000000000008000000040001000000400880000080000008000000000000040</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ���#���€���`�������`�������(�������`������ 4��������`������@(������@(������@(�������h�������@(������@(������@(������@(������@(�������`������@(������@h�������@h�������@(����� � �����@(������� �����@h�������@(�������(�������(�������(�������h��������`�������(�������(��������������������������h���h�� � h� �h���h�� h� �h���������h���h���h������h������h���h���(��� ��(��� ����� ��(��� ��h���h�� h�B���������������� �� �� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:52:40Z</structure-indexed-at> </compound>