345925 <common-name>N-[3-chloro-4-(11-hydroxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide</common-name> <description>N-[3-chloro-4-(11-hydroxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide is a chemical compound with the formula C27H21ClFN3O3. It has an average molecular weight of 489.90 g/mol.</description> <cas nil="true"/> <pubchem-id>118753196</pubchem-id> <chemical-formula>C27H21ClFN3O3</chemical-formula> <weight>489.9</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">2026-08-31T09:02:46Z</created-at> <updated-at type="dateTime">2026-08-31T09:02:46Z</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=C(C=C1)F)C(=O)NC2=CC(=C(C=C2)C(=O)N3CC4=CC=CN4C(C5=CC=CC=C53)O)Cl</moldb-smiles> <moldb-formula>C27H21ClFN3O3</moldb-formula> <moldb-inchi>InChI=1S/C27H21ClFN3O3/c1-16-8-9-17(29)13-22(16)25(33)30-18-10-11-20(23(28)14-18)26(34)32-15-19-5-4-12-31(19)27(35)21-6-2-3-7-24(21)32/h2-14,27,35H,15H2,1H3,(H,30,33)</moldb-inchi> <moldb-inchikey>UNYQXQUVEHPPBK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">489.1255474</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.3</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>CHEM341818</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>N-[3-chloro-4-(11-hydroxy-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide</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>Anilides</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296279</sync-id> <structure-inchikey>UNYQXQUVEHPPBK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000100000000000000000000008100000000000000200000000000000000000000000002100000000000000000000000000002000000000000000080400040000000000000000020000000000010000000000000000000000000010000000111000000100000000000030100000000000000000000101000000040000000800400000000001080000000040100002000000000400000000100000000000000008000081100002400000000000000008100008000000000000010000400000001000000010000020010100000002000000201004000000000008000020004000040002000000400800020000000200100000000000000</structure-fingerprint> 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