<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">344936</id>
  <title nil="true"/>
  <common-name>N-[1-[[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]-2-(3,4-dimethoxyphenyl)acetamide</common-name>
  <description>N-[1-[[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]-2-(3,4-dimethoxyphenyl)acetamide is a chemical compound with the formula C26H30N6O3. It has an average molecular weight of 474.60 g/mol.</description>
  <cas>861393-28-4</cas>
  <pubchem-id>72812793</pubchem-id>
  <chemical-formula>C26H30N6O3</chemical-formula>
  <weight>474.6</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">2026-08-31T07:10:11Z</created-at>
  <updated-at type="dateTime">2026-08-31T07:10:11Z</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(C)(C)C(NC(=O)CC1=CC(=C(C=C1)OC)OC)N=C(NC#N)NC2=CC=CC3=C2C=CC=N3</moldb-smiles>
  <moldb-formula>C26H30N6O3</moldb-formula>
  <moldb-inchi>InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)</moldb-inchi>
  <moldb-inchikey>PUHSRMSFDASMAE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">474.2379388</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.6</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>CHEM340829</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>N-[1-[[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]-2-(3,4-dimethoxyphenyl)acetamide</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer">3</paper-count>
  <sync-id>CED0047684</sync-id>
  <structure-inchikey>PUHSRMSFDASMAE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000004000000000800200002400000800000000000000000000000400400000000040000200240000000000002000800001000020018000000000000000000000000000000000000000000004000020000020000102000004200000000000000200010000000040000000100000020000000000040000010000000000001001100040000000804000000000000080800000000000200080000400000000000000000080000000040000089000000000000000080000000000000000000080000000040000000000000004088000000000008000000000000220000400000000008200000000002040000000000400000000000020000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>5014c0008d32864081001b608138a0000100140281052000003d20c2822408cc6c0200d0118000000300410802c00000046002b4c08d32210226643900a04010c7110c041280060000921040127202000805859051211f3340040462500249040c28052f0048822040081400dd94004d208680700d01c90471bd2a4802710012104000184ef0820a08062250ca2c0008391d081244409e8b500008a060c00080004310111090c02002000960057c3d144ac000028941086810804a104cc04292a00000a404d8023301808484541102900c010010030050000d600200080003009010491008c9030011000493519720820050043080c2040e5108108052070606</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������#���%���€���`������� ������`�������`�������`�������h��������(�������(�������`������@(������@h�������@(������@(������@h�������@h��������(�������`�������(�������`�������(�������(�������h��������(�������(�������h�������@(������@h�������@h�������@h�������@(������@(������@h�������@h�������@h�������@(����������������������� ��(�����	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:44:08Z</structure-indexed-at>
</compound>
