Cortexa research tool·chemistry·mcule

Mcule Get Compound

Get detailed compound information from Mcule by its Mcule ID. Returns SMILES, InChIKey, standard InChI, molecular formula, CAS numbers, stereo type, and molecular properties (molecular mass, LogP, H-bond donors/acceptors, rotatable bonds, polar surface area, Lipinski Rule-of-5 violations, ring count, heavy atoms, stereocenters). Use after Mcule_lookup_compound to get full chemical data. Public endpoint, no auth required (rate limit: 10/min).

Livelast probed 2026-04-30 23:07Z· 122msCortexa

Status

The most recent probe succeeded. Safe to call from the agent today.

Last probed: 1d ago
Last success: 1d ago
Last latency: 122ms

Schema

JSON Schema the agent (or your API call) must match.

{
  "properties": {
    "mcule_id": {
      "description": "Mcule compound identifier, e.g., MCULE-3199019536 (aspirin), MCULE-9475454445 (ibuprofen racemic)",
      "type": "string"
    },
    "operation": {
      "description": "Operation type",
      "enum": [
        "get_compound"
      ],
      "type": "string"
    }
  },
  "required": [
    "operation",
    "mcule_id"
  ],
  "type": "object"
}

Examples (1)

Default Mcule Get Compound call

public-safeinput

{
  "mcule_id": "",
  "operation": ""
}

Expected response keys: success

Anonymous-safe example. Rate-limited; no sign-in required.

Identifiers

Catalog ID: tu_Mcule_get_compound
Tool name: Mcule_get_compound
Added: 2026-04-30 22:47Z
Tags: tooluniverse

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