findCompound

Free

Resolve a chemical or drug identifier to PubChem compound IDs (CIDs). Names include brand names (Lipitor), INN/generic names, synonyms, CAS registry numbers and code names. Brand names often resolve to a salt form (e.g. a mesylate); parentCids then gives the active parent compound, which is the one to use for bioassays and ChEMBL/target lookups. Use the CIDs with getCompoundProperties, getCompoundSynonyms (ChEMBL/DrugBank/UNII/CAS IDs), getBioassaySummary or getCompoundAnnotations.

Try it

Open in playground

kirha tools run pubchem_findCompound \
  --input '{
    "identifier": "aspirin"
  }'

Uses the key saved by kirha auth login.

identifierstring, required
e.g. aspirin, Lipitor, 50-78-2, CC(=O)OC1=CC=CC=C1C(=O)O
identifierTypestring, default "name"
Use name for CAS numbers too
One of name, smiles, inchikey
limitnumber, default 10, 1 to 20

Works in any harness

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