330703 <common-name>2-[4-[(5-oxo-7-propyl-4h-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzoic acid</common-name> <description>2-[4-[(5-oxo-7-propyl-4h-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzoic acid is a compound with the formula C22H20N4O3. It has an average molecular weight of 388.40 g/mol.</description> <cas>168152-97-4</cas> <pubchem-id>135624059</pubchem-id> <chemical-formula>C22H20N4O3</chemical-formula> <weight>388.4</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">2026-08-30T11:21:57Z</created-at> <updated-at type="dateTime">2026-08-30T11:21:57Z</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>CCCC1=C(C(=O)NC2=NC=NN12)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O</moldb-smiles> <moldb-formula>C22H20N4O3</moldb-formula> <moldb-inchi>InChI=1S/C22H20N4O3/c1-2-5-19-18(20(27)25-22-23-13-24-26(19)22)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)21(28)29/h3-4,6-11,13H,2,5,12H2,1H3,(H,28,29)(H,23,24,25,27)</moldb-inchi> <moldb-inchikey>OREOAKRJKYNIJK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">388.1535405</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</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>CHEM326596</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>2-[4-[(5-oxo-7-propyl-4h-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]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>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Biphenyls and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0281249</sync-id> <structure-inchikey>OREOAKRJKYNIJK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000001000000000840000000000002000000000000000000002000000001000000002000220000000008000002004000408000002000080000000400000000000000000000000000048000000000020000000000400000000000002000400000020010000000000000000000000800000000100000000000880000002000000010041000000800000200000000000800000000100001000001000000000000000000000000000000000080000000000020001080000000000000000000000000000400000000000000000000000000040000000000200004220000000000000000000000000000040000000000400000000000000000100000000002000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAdAAAAIAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBkAoAAAAAwQGQCgAAAADBAZAKAAAAAMECAAoAAAAAwIHQDgA AAADAQMGQCgAAAADBAdAKAAAAAMDBkBoAAAAAwMBB0AoAAAAAwMHQCgAAAAD AwYAYAAAAAICBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZA aAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBo AAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGACgAAAADBAgAKAAAAAMCCABoAAAA AwEBCwABAAECAAIDAAMEaAwEBWgMBQYoAgUHaAwHCGgMCAloDAkKaAwKC2gM CwxoDAQNAA0OAA4PaAwPEGgMEBFoDBESaAwSE2gMERQgFBVoDBUWaAwWF2gM FxhoDBgZaAwZGiAaGygCGhwgDANoDAwIaAwTDmgMGRRoDEIEAAAABgMMCAcF BAUJCAwLCgYPEBESEw4GFRYXGBkUFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:33:11Z</structure-indexed-at> </compound>