331117 <common-name>6-(4-benzhydrylpiperazin-1-yl)-7h-purine</common-name> <description>6-(4-benzhydrylpiperazin-1-yl)-7h-purine is a chemical compound with the formula C22H22N6. It has an average molecular weight of 370.40 g/mol.</description> <cas nil="true"/> <pubchem-id>213316</pubchem-id> <chemical-formula>C22H22N6</chemical-formula> <weight>370.4</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">2026-08-30T11:50:58Z</created-at> <updated-at type="dateTime">2026-08-30T11:50:58Z</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>C1CN(CCN1C2=NC=NC3=C2NC=N3)C(C4=CC=CC=C4)C5=CC=CC=C5</moldb-smiles> <moldb-formula>C22H22N6</moldb-formula> <moldb-inchi>InChI=1S/C22H22N6/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)27-11-13-28(14-12-27)22-19-21(24-15-23-19)25-16-26-22/h1-10,15-16,20H,11-14H2,(H,23,24,25,26)</moldb-inchi> <moldb-inchikey>AJJJNTQUKUISRD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">370.1905947</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.6</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>CHEM327010</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>6-(4-benzhydrylpiperazin-1-yl)-7h-purine</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>Diphenylmethanes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0281657</sync-id> <structure-inchikey>AJJJNTQUKUISRD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40010000000000000000000000000000200004000000000000000000200000000000000000000000000000000000003004000100000000000005000000400000000000000000000000000080000000000000000000000000004000000000000000000000020000002000000000000000000000020100000000000008000000000000000000000000800000200000000000000000800100000000000000004000000000000040000000000c00080000000000000000080000808000000800002000000000000410000000001000000000000000000000000000000200000000000000200000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€���`�������`������� ������`�������`�������(������@(������@(������@h�������@(������@(������@(������@8�������@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�� h���h���h�B�������������� ����� � ������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:33:32Z</structure-indexed-at> </compound>