10765 <common-name>1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-methoxypropyl)-</common-name> <description nil="true"/> <cas>12217-80-0</cas> <pubchem-id>25530</pubchem-id> <chemical-formula>C20H17N3O5</chemical-formula> <weight>379.4</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">2016-05-19T03:08:58Z</created-at> <updated-at type="dateTime">2026-04-16T22:30:34Z</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>COCCCN1C(=O)C2=C(C1=O)C(N)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2N</moldb-smiles> <moldb-formula>C20H17N3O5</moldb-formula> <moldb-inchi>InChI=1S/C20H17N3O5/c1-28-8-4-7-23-19(26)13-14(20(23)27)16(22)12-11(15(13)21)17(24)9-5-2-3-6-10(9)18(12)25/h2-3,5-6H,4,7-8,21-22H2,1H3</moldb-inchi> <moldb-inchikey>WBCXRDHKXHADQF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">379.372</moldb-average-mass> <moldb-mono-mass type="decimal">379.116820659</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>23816</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>CHEM009660</chemdb-id> <dsstox-id>DTXSID5065271</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00019638</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>132.78999999999996</moldb-polar-surface-area> <moldb-refractivity>104.61419999999995</moldb-refractivity> <moldb-polarizability>39.39814808650874</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>7</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>17.66235095136161</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>1.4643449720109383</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>1.65</moldb-alogps-logp> <moldb-alogps-logs>-3.74</moldb-alogps-logs> <moldb-alogps-solubility>6.83e-02 g/l</moldb-alogps-solubility> </compound>