339010 <common-name>Methyl 4-[[2,3-dioxo-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazin-1-yl]methyl]benzoate</common-name> <description>Methyl 4-[[2,3-dioxo-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazin-1-yl]methyl]benzoate is a chemical compound with the formula C24H23N5O4. It has an average molecular weight of 445.50 g/mol.</description> <cas>77917-21-6</cas> <pubchem-id>3060253</pubchem-id> <chemical-formula>C24H23N5O4</chemical-formula> <weight>445.5</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">2026-08-30T22:12:26Z</created-at> <updated-at type="dateTime">2026-08-30T22:12:26Z</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>COC(=O)C1=CC=C(C=C1)CN2CCN(C(=O)C2=O)CC3=CC=C(C=C3)NC4=NC=CC=N4</moldb-smiles> <moldb-formula>C24H23N5O4</moldb-formula> <moldb-inchi>InChI=1S/C24H23N5O4/c1-33-23(32)19-7-3-17(4-8-19)15-28-13-14-29(22(31)21(28)30)16-18-5-9-20(10-6-18)27-24-25-11-2-12-26-24/h2-12H,13-16H2,1H3,(H,25,26,27)</moldb-inchi> <moldb-inchikey>HLKVCYLOIPGPJV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">445.1750042</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</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>CHEM334903</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>Methyl 4-[[2,3-dioxo-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazin-1-yl]methyl]benzoate</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" nil="true"/> <sync-id>CED0289436</sync-id> <structure-inchikey>HLKVCYLOIPGPJV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000040000000000100000000000000000000000001200220000000000000022000000000000000008000000000100000000000000000000000000002000000000020000000000100000000000000000000000000010000000050000000010000002000020100000000000000000000000000000040000000c00000000000000080000000000000000000000000000000000000000000000000000000084000000000000000080000008000000000080000000000000220000000100000000000000010004000100000000224040000000000001000000000002040000000000400000000000000000000000000000000</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���h���h�� h� �h��� ��h� �h�B������ ������ ���������������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:39:37Z</structure-indexed-at> </compound>