295512 <common-name>(e)-1-(4-fluorophenyl)-2-methyl-3-(pyridin-3-ylamino)prop-2-en-1-one</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3034603</pubchem-id> <chemical-formula>C15H13FN2O</chemical-formula> <weight>256.27</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">2026-08-28T11:30:08Z</created-at> <updated-at type="dateTime">2026-08-28T11:30:08Z</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>CC(=CNC1=CN=CC=C1)C(=O)C2=CC=C(C=C2)F</moldb-smiles> <moldb-formula>C15H13FN2O</moldb-formula> <moldb-inchi>InChI=1S/C15H13FN2O/c1-11(9-18-14-3-2-8-17-10-14)15(19)12-4-6-13(16)7-5-12/h2-10,18H,1H3/b11-9+</moldb-inchi> <moldb-inchikey>LHWAOENBSGARJW-PKNBQFBNSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">256.1011912</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM291405</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>(e)-1-(4-fluorophenyl)-2-methyl-3-(pyridin-3-ylamino)prop-2-en-1-one</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>Phenylpropanes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0246950</sync-id> <structure-inchikey>LHWAOENBSGARJW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000000000000000010000000000000000000000000000000000000000000000200000000000000400000000000000000000000010000000000000000200000000022000000000021100000080000000000000000001000000000000000000000000000000000000000000000000000040000010004080000080000000000000008010000000000000000000002000000000000000000000000090000008c000002000000000000000000000000000000100000000000020001000000000000000020000004000000000000200000000000000000000000000002040000000000480800000000000000000000000000000</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�B��������� �� ���������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:07:00Z</structure-indexed-at> </compound>