76216 <common-name>3-Methoxybenzamide</common-name> <description>3-Methoxybenzamide is an organic compound with the formula C8H9N1O2 and an average molecular weight of 151.16 g/mol. 3-Methoxybenzamide belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is further classified as a member of the benzenoids superclass. Regarding its biological activity, one protein target has been recorded for this compound, which acts as an inhibitor of Poly [ADP-ribose] polymerase 1 (PARP1).</description> <cas>5813-86-5</cas> <pubchem-id>98487</pubchem-id> <chemical-formula>C8H9N1O2</chemical-formula> <weight>151.16</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">2026-04-04T06:00:07Z</created-at> <updated-at type="dateTime">2026-08-25T05:47:06Z</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>DB03073</drugbank-id> <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>COC1=CC=CC(=C1)C(N)=O</moldb-smiles> <moldb-formula>C8H9N1O2</moldb-formula> <moldb-inchi>InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)</moldb-inchi> <moldb-inchikey>VKPLPDIMEREJJF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">151.165</moldb-average-mass> <moldb-mono-mass type="decimal">151.063329</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.67</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>88942</chemspider-id> <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>CHEM072109</chemdb-id> <dsstox-id>DTXSID00206848</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00033873</susdat-id> <iupac>3-methoxybenzamide</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>Benzoic acids and derivatives</subklass> <paper-count type="integer">240</paper-count> <sync-id>CED0014364</sync-id> <structure-inchikey>VKPLPDIMEREJJF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000000000000000000000000000040020000000000000000000000000000000000000000000000000000000000020000000000000000000002000000000010000000000000000000004000001000000004000000010000000000000000000000000000000000000000100004000000080000000000000000000100000000000000000000000000004000000000000000000000008c000000000000000000000000000000000000080000000000000000000000000000000000000000000000100000200000000000000000000000000000040000000000400000000000008004000000000000000</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�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:24:18Z</structure-indexed-at> </compound>