322948 <common-name>2-amino-n-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrimidine-5-carboxamide</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3059353</pubchem-id> <chemical-formula>C20H24ClN5O2</chemical-formula> <weight>401.9</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">2026-08-29T23:25:00Z</created-at> <updated-at type="dateTime">2026-08-29T23:25:00Z</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>COC1=NC(=NC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=C(C=C4)Cl)N</moldb-smiles> <moldb-formula>C20H24ClN5O2</moldb-formula> <moldb-inchi>InChI=1S/C20H24ClN5O2/c1-28-19-17(10-23-20(22)25-19)18(27)24-14-8-15-6-7-16(9-14)26(15)11-12-2-4-13(21)5-3-12/h2-5,10,14-16H,6-9,11H2,1H3,(H,24,27)(H2,22,23,25)</moldb-inchi> <moldb-inchikey>LSLVJNSJMRHPLT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">401.1618527</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</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>CHEM318841</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>2-amino-n-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrimidine-5-carboxamide</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>Piperidines</klass> <subklass>Benzylpiperidines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0273643</sync-id> <structure-inchikey>LSLVJNSJMRHPLT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>88000000000000200000000000000000008000000000000080000000020000002000000000201800404000000000000000000200000000000000000040000000000000000000002000100000a100000000000000000000000000110080400040000200000000000000020100000000000000000080100000000040020000020000000000000080001000000000000000000000000000000800000004000000000000080000000000000000084000000000000000000180000000000000000000000020000000000010000000000000000220040000000000000000002001000040000000020410000000000000000100000000000040</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�B������������� ������ ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:27:22Z</structure-indexed-at> </compound>