<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">307619</id>
  <title nil="true"/>
  <common-name>7-chloro-10-[5-(dimethylamino)pentan-2-yl]benzo[g]pteridine-2,4-dione</common-name>
  <description>7-chloro-10-[5-(dimethylamino)pentan-2-yl]benzo[g]pteridine-2,4-dione belongs to the alloxazines and isoalloxazines, a subclass of pteridines and derivatives within the organic compounds. This organoheterocyclic compound has the formula C17H20ClN5O2 and an average molecular weight of 361.80 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>58666</pubchem-id>
  <chemical-formula>C17H20ClN5O2</chemical-formula>
  <weight>361.8</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">2026-08-29T01:47:46Z</created-at>
  <updated-at type="dateTime">2026-08-29T01:47:46Z</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>CC(CCCN(C)C)N1C2=C(C=C(C=C2)Cl)N=C3C1=NC(=O)NC3=O</moldb-smiles>
  <moldb-formula>C17H20ClN5O2</moldb-formula>
  <moldb-inchi>InChI=1S/C17H20ClN5O2/c1-10(5-4-8-22(2)3)23-13-7-6-11(18)9-12(13)19-14-15(23)20-17(25)21-16(14)24/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,24,25)</moldb-inchi>
  <moldb-inchikey>QEDQDMQBNLXAQS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">361.1305526</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.3</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>CHEM303512</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>7-chloro-10-[5-(dimethylamino)pentan-2-yl]benzo[g]pteridine-2,4-dione</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>Pteridines and derivatives</klass>
  <subklass>Alloxazines and isoalloxazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0258657</sync-id>
  <structure-inchikey>QEDQDMQBNLXAQS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000400000001800000000000000000000400000100000080000000400000401000000020100000000000002000000000000000000000000000000000000000001040400000000000000000000028000000000400000000001002000000000000000080000000000a00104000000000000100200000000000000000000000000042000000004000200000000000100000000000000000000000020000000020000000000000000000080020000000000000000000000000002000000000000000000000000000000000800000000010000000002020004200000000000000000008000001000040000000010000080001000000000000000004000000</structure-fingerprint>
  <structure-pattern-fingerprint>501640400712864081000b440968200001801406050524000037784082a489cd5e222854138000001148411980c0000004600225408d330100a6e47100a14031c7110c0812c4dc1040901040007202800804079153211a3a42040562502258000c2c0527004822014040b600d5949208208680788129c0041118a84012510002184c01094ef88208182612c08f2d0008391f881a4410162a00281c2820c000a080c31412009ac00002000968017c27100ac0001aa941084114a0621828d04232a11012a404900a3345818600545512c00c410808464050020d8022000a06030091104910288da20400582411d11220800818023090460c2e4100100072500282</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`������� ������`�������`������@(������@(������@(������@h�������@(������@h�������@h�������� �����@(������@(������@(������@(������@(�������(������@8�������@(�������(�������������������������������	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:15:44Z</structure-indexed-at>
</compound>
