<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-15 18:10:30 UTC</creation_date>
  <update_date>2026-08-20 04:26:59 UTC</update_date>
  <accession/>
  <common_name>Safimaltib</common_name>
  <class>SmallMolecule</class>
  <description>Safimaltib is an organic compound with the chemical formula C20H11F6N5O2 and an average molecular weight of 467.33 g/mol. Safimaltib belongs to the isoquinolones and derivatives, a subclass of isoquinolines and derivatives within the organic compounds. It is further classified as an organoheterocyclic compound.

The compound has been identified in or released from three recorded sources. These include building and construction materials, specifically stairs and ramps, as well as electrical and electronic equipment, specifically antennas and line transmission systems.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C20H11F6N5O2</chemical_formula>
  <average_molecular_weight>467.331</average_molecular_weight>
  <monisotopic_moleculate_weight>467.081693592</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>2230273-76-2</cas_registry_number>
  <smiles>FC(F)(F)C1=C(C=NN1C1=C2C=CNC(=O)C2=CC=C1)C(=O)NC1=CC(=NC=C1)C(F)(F)F</smiles>
  <inchi>InChI=1S/C20H11F6N5O2/c21-19(22,23)15-8-10(4-6-27-15)30-18(33)13-9-29-31(16(13)20(24,25)26)14-3-1-2-12-11(14)5-7-28-17(12)32/h1-9H,(H,28,32)(H,27,30,33)</inchi>
  <inchikey>APWRZPQBPCAXFP-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>467.331</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>467.081693592</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>FC(F)(F)C1=C(C=NN1C1=C2C=CNC(=O)C2=CC=C1)C(=O)NC1=CC(=NC=C1)C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C20H11F6N5O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C20H11F6N5O2/c21-19(22,23)15-8-10(4-6-27-15)30-18(33)13-9-29-31(16(13)20(24,25)26)14-3-1-2-12-11(14)5-7-28-17(12)32/h1-9H,(H,28,32)(H,27,30,33)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>APWRZPQBPCAXFP-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722722d030&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB21528</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>134609793</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
