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<compound>
  <id type="integer">20607</id>
  <title nil="true"/>
  <common-name>SR144190</common-name>
  <description>SR144190 belongs to the morpholines, a subclass of oxazinanes within the organic compounds. It is an organoheterocyclic compound with the formula C33H39ClF2N4O3. With an average molecular weight of 613.15 g/mol, SR144190 is a heavy molecule.</description>
  <cas>181640-09-5</cas>
  <pubchem-id>9916195</pubchem-id>
  <chemical-formula>C33H39ClF2N4O3</chemical-formula>
  <weight nil="true"/>
  <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">2016-05-22T06:11:48Z</created-at>
  <updated-at type="dateTime">2026-04-03T01:25:19Z</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>Cl.CN(C)C(O)=NC1(CCN(CC[C@]2(CN(CCO2)C(=O)C2=CC=CC=C2)C2=CC(F)=C(F)C=C2)CC1)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C33H39ClF2N4O3</moldb-formula>
  <moldb-inchi>InChI=1S/C33H38F2N4O3.ClH/c1-37(2)31(41)36-32(26-11-7-4-8-12-26)15-18-38(19-16-32)20-17-33(27-13-14-28(34)29(35)23-27)24-39(21-22-42-33)30(40)25-9-5-3-6-10-25;/h3-14,23H,15-22,24H2,1-2H3,(H,36,41);1H/t33-;/m0./s1</moldb-inchi>
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  <moldb-average-mass type="decimal">613.15</moldb-average-mass>
  <moldb-mono-mass type="decimal">612.2678752</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>8091843</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>CHEM019502</chemdb-id>
  <dsstox-id>DTXSID4047339</dsstox-id>
  <toxcast-id>47339</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00015694</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>68.61</moldb-polar-surface-area>
  <moldb-refractivity>160.21159999999992</moldb-refractivity>
  <moldb-polarizability>61.535452331763196</moldb-polarizability>
  <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count>
  <moldb-acceptor-count>6</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>-2.382933343020169</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>15.000001161214401</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>5</moldb-number-of-rings>
  <moldb-alogps-logp>4.50</moldb-alogps-logp>
  <moldb-alogps-logs>-5.29</moldb-alogps-logs>
  <moldb-alogps-solubility>2.94e-03 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Oxazinanes</klass>
  <subklass>Morpholines</subklass>
  <paper-count type="integer">4</paper-count>
  <sync-id>CED0044614</sync-id>
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  <structure-indexed-at type="dateTime">2026-09-19T04:08:12Z</structure-indexed-at>
</compound>
