Mcule Lookup Compound
Look up purchasable compounds on Mcule by SMILES, InChIKey, or Mcule ID. Mcule aggregates 30M+ compounds from multiple chemical suppliers. Returns matching Mcule IDs and SMILES structures. Accepts any chemical identifier: SMILES string (e.g., CC(=O)Oc1ccccc1C(=O)O for aspirin), InChIKey (e.g., BSYNRYMUTXBXSQ-UHFFFAOYSA-N), or Mcule ID (e.g., MCULE-3199019536). Use this as the first step to find a compound's Mcule ID, then use Mcule_get_compound for full details. Public endpoint, no auth require…
Overview
Look up purchasable compounds on Mcule by SMILES, InChIKey, or Mcule ID. Mcule aggregates 30M+ compounds from multiple chemical suppliers. Returns matching Mcule IDs and SMILES structures. Accepts any chemical identifier: SMILES string (e.g., CC(=O)Oc1ccccc1C(=O)O for aspirin), InChIKey (e.g., BSYNRYMUTXBXSQ-UHFFFAOYSA-N), or Mcule ID (e.g., MCULE-3199019536). Use this as the first step to find a compound's Mcule ID, then use Mcule_get_compound for full details. Public endpoint, no auth required (rate limit: 10/min).
Status
The most recent probe succeeded. Safe to call from the agent today.
- Last probed
- 1d ago
- Last success
- 1d ago
- Last latency
- 103ms
Schema
JSON Schema the agent (or your API call) must match.
{
"properties": {
"operation": {
"description": "Operation type",
"enum": [
"lookup_compound"
],
"type": "string"
},
"query": {
"description": "Chemical identifier to look up: SMILES string, InChIKey, or Mcule ID (e.g., CC(=O)Oc1ccccc1C(=O)O, BSYNRYMUTXBXSQ-UHFFFAOYSA-N, or MCULE-3199019536)",
"type": "string"
}
},
"required": [
"operation",
"query"
],
"type": "object"
}Examples (1)
Default Mcule Lookup Compound call
{
"operation": "",
"query": "BRCA1"
}Anonymous-safe example. Rate-limited; no sign-in required.
Identifiers
- Catalog ID
- tu_Mcule_lookup_compound
- Tool name
- Mcule_lookup_compound
- Added
- 2026-04-30 22:47Z
- Tags
- tooluniverse