362822 <common-name>[3-(diaminomethylidenecarbamoylamino)phenyl]boronic acid</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3057575</pubchem-id> <chemical-formula>C8H11BN4O3</chemical-formula> <weight>222.01</weight> <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">2026-09-01T12:14:15Z</created-at> <updated-at type="dateTime">2026-09-01T12:14:15Z</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 nil="true"/> <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>B(C1=CC(=CC=C1)NC(=O)N=C(N)N)(O)O</moldb-smiles> <moldb-formula>C8H11BN4O3</moldb-formula> <moldb-inchi>InChI=1S/C8H11BN4O3/c10-7(11)13-8(14)12-6-3-1-2-5(4-6)9(15)16/h1-4,15-16H,(H5,10,11,12,13,14)</moldb-inchi> <moldb-inchikey>QHDZWIZRHGBOTD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">222.0924204</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>CHEM358715</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>[3-(diaminomethylidenecarbamoylamino)phenyl]boronic 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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>N-phenylureas</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0312873</sync-id> <structure-inchikey>QHDZWIZRHGBOTD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000004000000a00000020008100000000820000000001000000000000000000010000000000000000000000000000000000000000000000000000000100000000000000000020000000000001000004000000000000000000010000010000000000100000000000000001000000000000000000000001000000000000800000000000000080001000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000004000000000000001000000000000000000000000000000200800000000000008000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���(������@(������@h�������@(������@h�������@h�������@h��������h��������(�������(�������(�������(�������h��������h��������`�������`�����������h���h���h���h���h��� �� � (�� �(��� � ��������h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:59:43Z</structure-indexed-at> </compound>