347970 <common-name>3-[3-[[2-[4-[(2-amino-2-carboxyethyl)sulfanylmethyl]-3-methylphenyl]-5-methyl-3-oxo-1h-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]benzoic acid</common-name> <description>3-[3-[[2-[4-[(2-amino-2-carboxyethyl)sulfanylmethyl]-3-methylphenyl]-5-methyl-3-oxo-1h-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]benzoic acid is a chemical compound with the formula C28H27N5O6S. With an average molecular weight of 561.60 g/mol, 3-[3-[[2-[4-[(2-amino-2-carboxyethyl)sulfanylmethyl]-3-methylphenyl]-5-methyl-3-oxo-1h-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]benzoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>162368377</pubchem-id> <chemical-formula>C28H27N5O6S</chemical-formula> <weight>561.6</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">2026-08-31T11:49:58Z</created-at> <updated-at type="dateTime">2026-08-31T11:49:58Z</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>CC1=C(C=CC(=C1)N2C(=O)C(=C(N2)C)N=NC3=CC=CC(=C3O)C4=CC(=CC=C4)C(=O)O)CSCC(C(=O)O)N</moldb-smiles> <moldb-formula>C28H27N5O6S</moldb-formula> <moldb-inchi>InChI=1S/C28H27N5O6S/c1-15-11-20(10-9-19(15)13-40-14-22(29)28(38)39)33-26(35)24(16(2)32-33)31-30-23-8-4-7-21(25(23)34)17-5-3-6-18(12-17)27(36)37/h3-12,22,32,34H,13-14,29H2,1-2H3,(H,36,37)(H,38,39)</moldb-inchi> <moldb-inchikey>WQZANSUNXCWHJM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">561.1682048</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.9</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>CHEM343863</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-[3-[[2-[4-[(2-amino-2-carboxyethyl)sulfanylmethyl]-3-methylphenyl]-5-methyl-3-oxo-1h-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]benzoic 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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0298306</sync-id> <structure-inchikey>WQZANSUNXCWHJM-UHFFFAOYSA-N</structure-inchikey> 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