<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">145778</id>
  <title nil="true"/>
  <common-name>Zoldonrasib</common-name>
  <description>Zoldonrasib belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C63H88F3N11O7. With an average molecular weight of 1,168 g/mol, Zoldonrasib is a heavy molecule.</description>
  <cas>3034802-05-3</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C63H88F3N11O7</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">2026-05-14T21:05:51Z</created-at>
  <updated-at type="dateTime">2026-05-14T21:05:51Z</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>DB32223</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>CO[C@@H](C)C1=C(C=C(C=N1)N1CCN(CC1)C1CC1)C1=C2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](C[C@H]3CN(CCO3)C3=CC=C(N1CC(F)(F)F)C2=C3)NC(=O)[C@H](C1CCCC1)N1CC[C@]2(CCN(C2)C(=O)[C@H]2[C@@H](C3CC3)N2C)C1</moldb-smiles>
  <moldb-formula>C63H88F3N11O7</moldb-formula>
  <moldb-inchi>InChI=1S/C63H88F3N11O7/c1-39(82-5)52-47(30-44(33-67-52)72-25-23-71(24-26-72)42-14-15-42)55-48-32-61(2,3)38-84-60(81)49-11-8-20-77(69-49)58(79)50(31-45-34-73(27-28-83-45)43-16-17-51(46(48)29-43)76(55)37-63(64,65)66)68-57(78)54(40-9-6-7-10-40)74-21-18-62(35-74)19-22-75(36-62)59(80)56-53(70(56)4)41-12-13-41/h16-17,29-30,33,39-42,45,49-50,53-54,56,69H,6-15,18-28,31-32,34-38H2,1-5H3,(H,68,78)/t39-,45-,49-,50-,53+,54-,56+,62+,70?/m1/s1</moldb-inchi>
  <moldb-inchikey>VKNNQJWNUPSOEK-VCAAAJMFSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1168.462</moldb-average-mass>
  <moldb-mono-mass type="decimal">1167.682028707</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM141671</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 nil="true"/>
  <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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer">55</paper-count>
  <sync-id>CED0022786</sync-id>
  <structure-inchikey>VKNNQJWNUPSOEK-VCAAAJMFSA-N</structure-inchikey>
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  <structure-pickle>ï¾­Þ����������������T���`���€���`������� ����� 4��������`������@(������@(������@h�������@(������@h�������@(�������(�������`�������`������� ������`�������`�������`�������`�������`������@(������@(�������`������� ������`�������`�������`�������(�������(�������(������ 4��������`�������`�������`�������(�������`�������(�������(������ 4��������`������ 4��������`�������(�������`�������`������� �����@(������@h�������@h�������@(������@(�������`������� ����	� ����	� ����	� �����@(������@h��������h��������(�������(������ 4��������`�������`�������`�������`�������`������� ������`�������`������ $�������`�������`�������(�������`�������(�������(������ 4������� 4��������`�������`�������`������� ������`�������`��������������������h���h���h���h��	h��
 
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�����������"!#%&amp;'()-87���� !"��()*+,'�./078-�107���&gt;=A@?�CBSED�FEIHG�ONP�QML����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:52:41Z</structure-indexed-at>
</compound>
