23188 <common-name>Dapiprazole</common-name> <description nil="true"/> <cas>72822-12-9</cas> <pubchem-id>3033538</pubchem-id> <chemical-formula>C19H27N5</chemical-formula> <weight>325.5</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">2016-05-25T18:19:31Z</created-at> <updated-at type="dateTime">2026-08-20T04:04:16Z</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>DB00298</drugbank-id> <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=CC=CC=C1N1CCN(CCC2=NN=C3CCCCN23)CC1</moldb-smiles> <moldb-formula>C19H27N5</moldb-formula> <moldb-inchi>InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3</moldb-inchi> <moldb-inchikey>RFWZESUMWJKKRN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">325.4512</moldb-average-mass> <moldb-mono-mass type="decimal">325.226645889</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.42</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2298190</chemspider-id> <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>CHEM022083</chemdb-id> <dsstox-id>DTXSID90223140</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00009661</susdat-id> <iupac>1-(2-methylphenyl)-4-(2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)piperazine</iupac> <moldb-polar-surface-area>37.19</moldb-polar-surface-area> <moldb-refractivity>100.22160000000001</moldb-refractivity> <moldb-polarizability>38.22537003271229</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>7.667908152684471</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>2.78</moldb-alogps-logp> <moldb-alogps-logs>-2.64</moldb-alogps-logs> <moldb-alogps-solubility>7.51e-01 g/l</moldb-alogps-solubility> <kingdom nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> </compound>