345754 <common-name>3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-n-(5-chloro-2,6-difluoropyrimidin-4-yl)anilino]propanoic acid</common-name> <description>3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-n-(5-chloro-2,6-difluoropyrimidin-4-yl)anilino]propanoic acid is a chemical compound with the formula C27H18ClF2N5O7S. With an average molecular weight of 630.00 g/mol, 3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-n-(5-chloro-2,6-difluoropyrimidin-4-yl)anilino]propanoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>111893</pubchem-id> <chemical-formula>C27H18ClF2N5O7S</chemical-formula> <weight>630</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">2026-08-31T08:43:59Z</created-at> <updated-at type="dateTime">2026-08-31T08:43:59Z</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>C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)N(CCC(=O)O)C5=C(C(=NC(=N5)F)F)Cl)S(=O)(=O)O)N</moldb-smiles> <moldb-formula>C27H18ClF2N5O7S</moldb-formula> <moldb-inchi>InChI=1S/C27H18ClF2N5O7S/c28-21-25(29)33-27(30)34-26(21)35(10-9-18(36)37)13-7-5-12(6-8-13)32-16-11-17(43(40,41)42)22(31)20-19(16)23(38)14-3-1-2-4-15(14)24(20)39/h1-8,11,32H,9-10,31H2,(H,36,37)(H,40,41,42)</moldb-inchi> <moldb-inchikey>HPAYCMXRVBKEQU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">629.0583531</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</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>CHEM341647</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-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-n-(5-chloro-2,6-difluoropyrimidin-4-yl)anilino]propanoic 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>Anthracenes</klass> <subklass>Anthraquinones</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296109</sync-id> <structure-inchikey>HPAYCMXRVBKEQU-UHFFFAOYSA-N</structure-inchikey> 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