290662 <common-name>4-(13-oxa-8,10,12,14,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-yl)butanoic acid</common-name> <description>4-(13-oxa-8,10,12,14,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-yl)butanoic acid is a chemical compound with the formula C14H11N5O3. It has an average molecular weight of 297.27 g/mol.</description> <cas nil="true"/> <pubchem-id>122180708</pubchem-id> <chemical-formula>C14H11N5O3</chemical-formula> <weight>297.27</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">2026-08-28T04:29:59Z</created-at> <updated-at type="dateTime">2026-08-28T04:29:59Z</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)C3=NC4=NON=C4N=C3N2CCCC(=O)O</moldb-smiles> <moldb-formula>C14H11N5O3</moldb-formula> <moldb-inchi>InChI=1S/C14H11N5O3/c20-10(21)6-3-7-19-9-5-2-1-4-8(9)11-14(19)16-13-12(15-11)17-22-18-13/h1-2,4-5H,3,6-7H2,(H,20,21)</moldb-inchi> <moldb-inchikey>IMVAHFIQCOJFIE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">297.0861892</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.3</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>CHEM286555</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>4-(13-oxa-8,10,12,14,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-yl)butanoic 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>CED0242269</sync-id> <structure-inchikey>IMVAHFIQCOJFIE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000800000000000000000000000000000000000000000004000000000000040000000000000002004000000000000000000000000000000020000000000000200000080000000000020800000000000000000000000000000000000210000000000000008000000000000000100000000000000000000000000000000000000800002000000004000000000800100000000030000000000050000000000000000060000080000000000000000000000000000000000000002000008040000000000080000000000000000008000000800400200000000000000000000000001000040000200010400001000000000000000000000000004</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�� h� h� �h���h�� h� �h���h���������������(��� ��h���h���h���h�B��������������� ��� ��� ����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:03:14Z</structure-indexed-at> </compound>