332385 <common-name>2-cyclooctyl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine</common-name> <description>2-cyclooctyl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine is a chemical compound with the formula C22H27N5S. It has an average molecular weight of 393.60 g/mol.</description> <cas>71079-63-5</cas> <pubchem-id>3054293</pubchem-id> <chemical-formula>C22H27N5S</chemical-formula> <weight>393.6</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">2026-08-30T13:33:42Z</created-at> <updated-at type="dateTime">2026-08-30T13:33:42Z</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>CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCCCC3)NC4=NC=CS4</moldb-smiles> <moldb-formula>C22H27N5S</moldb-formula> <moldb-inchi>InChI=1S/C22H27N5S/c1-16-15-20(18-11-7-8-12-19(18)24-16)26-21(27-22-23-13-14-28-22)25-17-9-5-3-2-4-6-10-17/h7-8,11-15,17H,2-6,9-10H2,1H3,(H2,23,24,25,26,27)</moldb-inchi> <moldb-inchikey>IGVDAIQOVHTBCQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">393.1987171</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.5</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>CHEM328278</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-cyclooctyl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine</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>Quinolines and derivatives</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0282903</sync-id> <structure-inchikey>IGVDAIQOVHTBCQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20020000000000000000000000000000000000000000000000000000000000000000000040001000000000000000002044000000000000000000000000000400000000000020100000001000000000000000008010000000000004000000000000000000010000000000000000100020020000020000000000010000000000100800000040000000804000000000000080800000000100000080200000000000000000000004000000040000080000000000000000080000000000000000802000000211040000000000000000080000000000000000002010000200000000000000008000400001002040000000000000400000000000000010000000000000</structure-fingerprint> 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