339778 <common-name>9-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4h-pyrido[3,4-b]indole-1,3-dione</common-name> <description>9-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4h-pyrido[3,4-b]indole-1,3-dione is a chemical compound with the formula C24H28N6O2. It has an average molecular weight of 432.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3075512</pubchem-id> <chemical-formula>C24H28N6O2</chemical-formula> <weight>432.5</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">2026-08-30T23:09:55Z</created-at> <updated-at type="dateTime">2026-08-30T23:09:55Z</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>CN1C2=CC=CC=C2C3=C1C(=O)N(C(=O)C3)CCCCN4CCN(CC4)C5=NC=CC=N5</moldb-smiles> <moldb-formula>C24H28N6O2</moldb-formula> <moldb-inchi>InChI=1S/C24H28N6O2/c1-27-20-8-3-2-7-18(20)19-17-21(31)30(23(32)22(19)27)12-5-4-11-28-13-15-29(16-14-28)24-25-9-6-10-26-24/h2-3,6-10H,4-5,11-17H2,1H3</moldb-inchi> <moldb-inchikey>KJWDCTPGSSTDHV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">432.2273742</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</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>CHEM335671</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>9-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4h-pyrido[3,4-b]indole-1,3-dione</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>Organoheterocyclic compounds</superklass> <klass>Indoles and derivatives</klass> <subklass>Pyridoindoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0290196</sync-id> <structure-inchikey>KJWDCTPGSSTDHV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000002080000000000000000000000000000000000000000000000000004000002000000000004000200000010000402000800a00000000000000000000800008000008000000000000002400000000000000000000000000000000000200000000000000000001000400000002010000000000000000000000000200004000000080000000000000400000000000010000000000000080000005000040000000000004000008000000000000000018000200a000000800000000000008040000000000000000000000080000000000000200000200000000010000000000000040002040000000010000000000000000000000000000000000</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�B��������� �������� � �� ������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:40:12Z</structure-indexed-at> </compound>